2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;6-[3-[2-[2-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;2-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[3-[2-[2-[(2-methyl-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]hexanoic acid;methane

C258H373N23O53S6 — CID 162015741

IUPAC2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;6-[3-[2-[2-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;2-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[3-[2-[2-[(2-methyl-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]hexanoic acid;methane
SMILESC.CC1=C(C)C(=O)C(C(C)(C)CC(=O)N(C)CCN(CCOCCOCCC(=O)NCCCCC(NC(=O)CC[C@@H](C)[C@H]2CC[C@@H]3C2C(O)C[C@H]2[C@H]3CC[C@@H]3C[C@H](O)CC[C@@]32C)C(=O)O)C(=O)Oc2ccc3nc(C)sc3c2)=C(C)C1=O.CC1=C(C)C(=O)C(C(C)(C)CC(=O)N(C)CCN(CCOCCOCCC(=O)NCCCCC(NC(=O)CC[C@@H](C)[C@H]2CC[C@@H]3C2C(O)C[C@H]2[C@H]3CC[C@@H]3C[C@H](O)CC[C@@]32C)C(=O)O)C(=O)Oc2ccc3nc(C4=NC(C(=O)O)CS4)sc3c2)=C(C)C1=O.CC1=C(C)C(=O)C(C(C)(C)CC(=O)N(C)CCN(CCOCCOCCC(=O)NCCCCC(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](C)CC[C@]5(C)[C@H]4CC[C@]23C)C(=O)O)C(=O)Oc2ccc3nc(C#N)sc3c2)=C(C)C1=O.CC1=C(C)C(=O)C(C(C)(C)CC(=O)N(C)CCN(CCOCCOCCC(=O)NCCCCC(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(=O)O)C(=O)Oc2ccc3nc(C4=NC(C(=O)O)CS4)sc3c2)=C(C)C1=O
InChIInChI=1S/C66H94N6O14S2.C65H92N6O15S2.C64H92N6O11S.C62H91N5O13S.CH4/c1-38(46-17-18-47-45-16-14-42-34-43(73)21-24-65(42,7)48(45)22-25-66(46,47)8)13-20-54(75)68-50(61(79)80)12-10-11-26-67-53(74)23-30-84-32-33-85-31-29-72(28-27-71(9)55(76)36-64(5,6)56-41(4)57(77)39(2)40(3)58(56)78)63(83)86-44-15-19-49-52(35-44)88-60(69-49)59-70-51(37-87-59)62(81)82;1-36(43-16-17-45-44-15-13-40-31-41(72)20-22-65(40,7)46(44)33-50(73)55(43)45)12-19-53(75)67-48(61(79)80)11-9-10-23-66-52(74)21-27-84-29-30-85-28-26-71(25-24-70(8)54(76)34-64(5,6)56-39(4)57(77)37(2)38(3)58(56)78)63(83)86-42-14-18-47-51(32-42)88-60(68-47)59-69-49(35-87-59)62(81)82;1-39-22-25-63(8)44(35-39)15-17-46-48-19-18-47(64(48,9)26-23-49(46)63)40(2)14-21-54(72)67-51(60(76)77)13-11-12-27-66-53(71)24-31-79-33-34-80-32-30-70(61(78)81-45-16-20-50-52(36-45)82-55(38-65)68-50)29-28-69(10)56(73)37-62(6,7)57-43(5)58(74)41(3)42(4)59(57)75;1-36(44-17-18-46-45-16-14-41-32-42(68)21-23-62(41,8)47(45)34-50(69)55(44)46)13-20-53(71)65-49(59(75)76)12-10-11-24-63-52(70)22-28-78-30-31-79-29-27-67(60(77)80-43-15-19-48-51(33-43)81-40(5)64-48)26-25-66(9)54(72)35-61(6,7)56-39(4)57(73)37(2)38(3)58(56)74;/h15,19,35,38,42-43,45-48,50-51,73H,10-14,16-18,20-34,36-37H2,1-9H3,(H,67,74)(H,68,75)(H,79,80)(H,81,82);14,18,32,36,40-41,43-46,48-50,55,72-73H,9-13,15-17,19-31,33-35H2,1-8H3,(H,66,74)(H,67,75)(H,79,80)(H,81,82);16,20,36,39-40,44,46-49,51H,11-15,17-19,21-35,37H2,1-10H3,(H,66,71)(H,67,72)(H,76,77);15,19,33,36,41-42,44-47,49-50,55,68-69H,10-14,16-18,20-32,34-35H2,1-9H3,(H,63,70)(H,65,71)(H,75,76);1H4/t38-,42-,43-,45+,46-,47+,48+,50?,51?,65+,66-;36-,40-,41-,43-,44+,45+,46+,48?,49?,50?,55?,65+;39-,40-,44-,46+,47-,48+,49+,51?,63+,64-;36-,41-,42-,44-,45+,46+,47+,49?,50?,55?,62+;/m1111./s1
InChIKeyYUBRWPIECZIHLZ-YJCCETIASA-N
MW4837.33 g/mol
LogP37.11
Rot. Bonds112

About 2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;6-[3-[2-[2-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;2-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[3-[2-[2-[(2-methyl-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]hexanoic acid;methane

2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;6-[3-[2-[2-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;2-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[3-[2-[2-[(2-methyl-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]hexanoic acid;methane (PubChem CID 162015741) has the molecular formula C258H373N23O53S6 and a molecular weight of 4837.33 g/mol. Its IUPAC name is 2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;6-[3-[2-[2-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;2-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[3-[2-[2-[(2-methyl-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]hexanoic acid;methane.

Molecular Properties

Compound Name2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;6-[3-[2-[2-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;2-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[3-[2-[2-[(2-methyl-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]hexanoic acid;methane
PubChem CID162015741
Molecular FormulaC258H373N23O53S6
Molecular Weight4837.33 g/mol
Exact Mass4833.55
IUPAC Name2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;6-[3-[2-[2-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;2-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[3-[2-[2-[(2-methyl-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]hexanoic acid;methane
SMILESC.CC1=C(C)C(=O)C(C(C)(C)CC(=O)N(C)CCN(CCOCCOCCC(=O)NCCCCC(NC(=O)CC[C@@H](C)[C@H]2CC[C@@H]3C2C(O)C[C@H]2[C@H]3CC[C@@H]3C[C@H](O)CC[C@@]32C)C(=O)O)C(=O)Oc2ccc3nc(C)sc3c2)=C(C)C1=O.CC1=C(C)C(=O)C(C(C)(C)CC(=O)N(C)CCN(CCOCCOCCC(=O)NCCCCC(NC(=O)CC[C@@H](C)[C@H]2CC[C@@H]3C2C(O)C[C@H]2[C@H]3CC[C@@H]3C[C@H](O)CC[C@@]32C)C(=O)O)C(=O)Oc2ccc3nc(C4=NC(C(=O)O)CS4)sc3c2)=C(C)C1=O.CC1=C(C)C(=O)C(C(C)(C)CC(=O)N(C)CCN(CCOCCOCCC(=O)NCCCCC(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](C)CC[C@]5(C)[C@H]4CC[C@]23C)C(=O)O)C(=O)Oc2ccc3nc(C#N)sc3c2)=C(C)C1=O.CC1=C(C)C(=O)C(C(C)(C)CC(=O)N(C)CCN(CCOCCOCCC(=O)NCCCCC(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(=O)O)C(=O)Oc2ccc3nc(C4=NC(C(=O)O)CS4)sc3c2)=C(C)C1=O
InChIInChI=1S/C66H94N6O14S2.C65H92N6O15S2.C64H92N6O11S.C62H91N5O13S.CH4/c1-38(46-17-18-47-45-16-14-42-34-43(73)21-24-65(42,7)48(45)22-25-66(46,47)8)13-20-54(75)68-50(61(79)80)12-10-11-26-67-53(74)23-30-84-32-33-85-31-29-72(28-27-71(9)55(76)36-64(5,6)56-41(4)57(77)39(2)40(3)58(56)78)63(83)86-44-15-19-49-52(35-44)88-60(69-49)59-70-51(37-87-59)62(81)82;1-36(43-16-17-45-44-15-13-40-31-41(72)20-22-65(40,7)46(44)33-50(73)55(43)45)12-19-53(75)67-48(61(79)80)11-9-10-23-66-52(74)21-27-84-29-30-85-28-26-71(25-24-70(8)54(76)34-64(5,6)56-39(4)57(77)37(2)38(3)58(56)78)63(83)86-42-14-18-47-51(32-42)88-60(68-47)59-69-49(35-87-59)62(81)82;1-39-22-25-63(8)44(35-39)15-17-46-48-19-18-47(64(48,9)26-23-49(46)63)40(2)14-21-54(72)67-51(60(76)77)13-11-12-27-66-53(71)24-31-79-33-34-80-32-30-70(61(78)81-45-16-20-50-52(36-45)82-55(38-65)68-50)29-28-69(10)56(73)37-62(6,7)57-43(5)58(74)41(3)42(4)59(57)75;1-36(44-17-18-46-45-16-14-41-32-42(68)21-23-62(41,8)47(45)34-50(69)55(44)46)13-20-53(71)65-49(59(75)76)12-10-11-24-63-52(70)22-28-78-30-31-79-29-27-67(60(77)80-43-15-19-48-51(33-43)81-40(5)64-48)26-25-66(9)54(72)35-61(6,7)56-39(4)57(73)37(2)38(3)58(56)74;/h15,19,35,38,42-43,45-48,50-51,73H,10-14,16-18,20-34,36-37H2,1-9H3,(H,67,74)(H,68,75)(H,79,80)(H,81,82);14,18,32,36,40-41,43-46,48-50,55,72-73H,9-13,15-17,19-31,33-35H2,1-8H3,(H,66,74)(H,67,75)(H,79,80)(H,81,82);16,20,36,39-40,44,46-49,51H,11-15,17-19,21-35,37H2,1-10H3,(H,66,71)(H,67,72)(H,76,77);15,19,33,36,41-42,44-47,49-50,55,68-69H,10-14,16-18,20-32,34-35H2,1-9H3,(H,63,70)(H,65,71)(H,75,76);1H4/t38-,42-,43-,45+,46-,47+,48+,50?,51?,65+,66-;36-,40-,41-,43-,44+,45+,46+,48?,49?,50?,55?,65+;39-,40-,44-,46+,47-,48+,49+,51?,63+,64-;36-,41-,42-,44-,45+,46+,47+,49?,50?,55?,62+;/m1111./s1
InChIKeyYUBRWPIECZIHLZ-YJCCETIASA-N
XLogP37.11
TPSA1067.62 Ų
H-Bond Donors19
H-Bond Acceptors60
Rotatable Bonds112
Heavy Atoms340
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004837.33
LogP ≤ 537.11
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1060

Analyze 2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;6-[3-[2-[2-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;2-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[3-[2-[2-[(2-methyl-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]hexanoic acid;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3-methylidene-6-oxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;6-[3-[2-[2-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]-2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-7-hydroxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid
CID 162068171
2-[6-[[6-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-6-oxohexyl]-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid;2-[6-[[6-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-6-oxohexyl]-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(6-[6-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]hexanoylamino]-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid);methane
CID 162080182
6-[4-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]butanoylamino]-2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-7-hydroxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;6-[4-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]butanoylamino]-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;6-[3-[2-[2-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[3-[2-[2-[[2-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-benzothiazol-6-yl]oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]hexanoic acid
CID 159128952
2-[6-[[6-[[5-carboxy-5-[4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]pentyl]amino]-6-oxohexyl]-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 118468852
2-[6-[[4-[[5-carboxy-5-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-4-oxobutyl]-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 118286714
2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[6-[[2-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-benzothiazol-6-yl]oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]hexanoylamino]hexanoic acid
CID 118476940
2-[6-[2-[2-[2-[3-[2-[[(6S)-6-[(3S,5R,7S,8S,9R,10R,13S,14R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoyl]amino]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 118476955
6-[6-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]hexanoylamino]-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid
CID 118476925
6-[6-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]hexanoylamino]-2-[[(4R)-4-[(3R,7R,8R,9S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid
CID 144897556
2-[6-[2-[2-[2-[3-[3-[[(4S)-4-[(3S,5R,7S,8S,9R,10R,13S,14R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 118280356
2-[6-[2-[2-[3-[[5-carboxy-5-[4-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[[3-(2,5-dihydroxy-4-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-yl)-3-methylbutanoyl]-methylamino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 123243630
2-[6-[2-[2-[2-[3-[3-[[(4S)-4-[(3S,5R,7S,8S,9R,10R,13S,14R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethyl-[2-[[3-(2,5-dihydroxy-4-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-yl)-3-methylbutanoyl]-methylamino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 123904196

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;6-[3-[2-[2-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;2-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[3-[2-[2-[(2-methyl-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]hexanoic acid;methane?
The IUPAC name of 2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;6-[3-[2-[2-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;2-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[3-[2-[2-[(2-methyl-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]hexanoic acid;methane (CID 162015741) is 2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;6-[3-[2-[2-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;2-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[3-[2-[2-[(2-methyl-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]hexanoic acid;methane.
What is the SMILES notation for 2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;6-[3-[2-[2-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;2-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[3-[2-[2-[(2-methyl-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]hexanoic acid;methane?
The canonical SMILES for 2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;6-[3-[2-[2-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;2-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[3-[2-[2-[(2-methyl-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]hexanoic acid;methane is C.CC1=C(C)C(=O)C(C(C)(C)CC(=O)N(C)CCN(CCOCCOCCC(=O)NCCCCC(NC(=O)CC[C@@H](C)[C@H]2CC[C@@H]3C2C(O)C[C@H]2[C@H]3CC[C@@H]3C[C@H](O)CC[C@@]32C)C(=O)O)C(=O)Oc2ccc3nc(C)sc3c2)=C(C)C1=O.CC1=C(C)C(=O)C(C(C)(C)CC(=O)N(C)CCN(CCOCCOCCC(=O)NCCCCC(NC(=O)CC[C@@H](C)[C@H]2CC[C@@H]3C2C(O)C[C@H]2[C@H]3CC[C@@H]3C[C@H](O)CC[C@@]32C)C(=O)O)C(=O)Oc2ccc3nc(C4=NC(C(=O)O)CS4)sc3c2)=C(C)C1=O.CC1=C(C)C(=O)C(C(C)(C)CC(=O)N(C)CCN(CCOCCOCCC(=O)NCCCCC(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](C)CC[C@]5(C)[C@H]4CC[C@]23C)C(=O)O)C(=O)Oc2ccc3nc(C#N)sc3c2)=C(C)C1=O.CC1=C(C)C(=O)C(C(C)(C)CC(=O)N(C)CCN(CCOCCOCCC(=O)NCCCCC(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(=O)O)C(=O)Oc2ccc3nc(C4=NC(C(=O)O)CS4)sc3c2)=C(C)C1=O.
What is the InChIKey of 2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;6-[3-[2-[2-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;2-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[3-[2-[2-[(2-methyl-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]hexanoic acid;methane?
The InChIKey is YUBRWPIECZIHLZ-YJCCETIASA-N. The full InChI is InChI=1S/C66H94N6O14S2.C65H92N6O15S2.C64H92N6O11S.C62H91N5O13S.CH4/c1-38(46-17-18-47-45-16-14-42-34-43(73)21-24-65(42,7)48(45)22-25-66(46,47)8)13-20-54(75)68-50(61(79)80)12-10-11-26-67-53(74)23-30-84-32-33-85-31-29-72(28-27-71(9)55(76)36-64(5,6)56-41(4)57(77)39(2)40(3)58(56)78)63(83)86-44-15-19-49-52(35-44)88-60(69-49)59-70-51(37-87-59)62(81)82;1-36(43-16-17-45-44-15-13-40-31-41(72)20-22-65(40,7)46(44)33-50(73)55(43)45)12-19-53(75)67-48(61(79)80)11-9-10-23-66-52(74)21-27-84-29-30-85-28-26-71(25-24-70(8)54(76)34-64(5,6)56-39(4)57(77)37(2)38(3)58(56)78)63(83)86-42-14-18-47-51(32-42)88-60(68-47)59-69-49(35-87-59)62(81)82;1-39-22-25-63(8)44(35-39)15-17-46-48-19-18-47(64(48,9)26-23-49(46)63)40(2)14-21-54(72)67-51(60(76)77)13-11-12-27-66-53(71)24-31-79-33-34-80-32-30-70(61(78)81-45-16-20-50-52(36-45)82-55(38-65)68-50)29-28-69(10)56(73)37-62(6,7)57-43(5)58(74)41(3)42(4)59(57)75;1-36(44-17-18-46-45-16-14-41-32-42(68)21-23-62(41,8)47(45)34-50(69)55(44)46)13-20-53(71)65-49(59(75)76)12-10-11-24-63-52(70)22-28-78-30-31-79-29-27-67(60(77)80-43-15-19-48-51(33-43)81-40(5)64-48)26-25-66(9)54(72)35-61(6,7)56-39(4)57(73)37(2)38(3)58(56)74;/h15,19,35,38,42-43,45-48,50-51,73H,10-14,16-18,20-34,36-37H2,1-9H3,(H,67,74)(H,68,75)(H,79,80)(H,81,82);14,18,32,36,40-41,43-46,48-50,55,72-73H,9-13,15-17,19-31,33-35H2,1-8H3,(H,66,74)(H,67,75)(H,79,80)(H,81,82);16,20,36,39-40,44,46-49,51H,11-15,17-19,21-35,37H2,1-10H3,(H,66,71)(H,67,72)(H,76,77);15,19,33,36,41-42,44-47,49-50,55,68-69H,10-14,16-18,20-32,34-35H2,1-9H3,(H,63,70)(H,65,71)(H,75,76);1H4/t38-,42-,43-,45+,46-,47+,48+,50?,51?,65+,66-;36-,40-,41-,43-,44+,45+,46+,48?,49?,50?,55?,65+;39-,40-,44-,46+,47-,48+,49+,51?,63+,64-;36-,41-,42-,44-,45+,46+,47+,49?,50?,55?,62+;/m1111./s1.
What are the key properties of 2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;6-[3-[2-[2-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;2-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[3-[2-[2-[(2-methyl-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]hexanoic acid;methane?
2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;6-[3-[2-[2-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;2-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[3-[2-[2-[(2-methyl-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]hexanoic acid;methane has a molecular weight of 4837.33 g/mol, XLogP of 37.11, 112 rotatable bonds, 19 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-[6-[2-[2-[3-[[5-carboxy-5-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]amino]-3-oxopropoxy]ethoxy]ethyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;6-[3-[2-[2-[(2-cyano-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid;2-[[(4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-3,12-dihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-6-[3-[2-[2-[(2-methyl-1,3-benzothiazol-6-yl)oxycarbonyl-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]amino]ethoxy]ethoxy]propanoylamino]hexanoic acid;methane is sourced from PubChem (CID 162015741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).