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

C131H188N12O26S3 — CID 162068171

About 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

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 (PubChem CID 162068171) has the molecular formula C131H188N12O26S3 and a molecular weight of 2443.20 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162068171
• Molecular Formula: C131H188N12O26S3
• Molecular Weight: 2443.20 g/mol
• Exact Mass: 2441.29
• IUPAC Name: 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
• SMILES: C=C1C(C)=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]4[C@@H](O)C[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)=C1C.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]4[C@@H](O)C[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
• InChI: InChI=1S/C67H96N6O14S2.C64H92N6O12S/c1-38(46-16-17-47-57-48(21-24-67(46,47)9)66(8)23-20-44(74)33-43(66)34-52(57)75)14-19-55(77)69-50(62(80)81)13-11-12-25-68-54(76)22-29-85-31-32-86-30-28-73(27-26-72(10)56(78)36-65(6,7)58-41(4)39(2)40(3)42(5)59(58)79)64(84)87-45-15-18-49-53(35-45)89-61(70-49)60-71-51(37-88-60)63(82)83;1-38-20-23-63(8)43(33-38)34-50(71)56-46-17-16-45(64(46,9)24-21-47(56)63)39(2)14-19-53(73)67-49(60(77)78)13-11-12-25-66-52(72)22-29-80-31-32-81-30-28-70(61(79)82-44-15-18-48-51(35-44)83-54(37-65)68-48)27-26-69(10)55(74)36-62(6,7)57-42(5)58(75)40(3)41(4)59(57)76/h15,18,35,38,43-44,46-48,50-52,57,74-75H,2,11-14,16-17,19-34,36-37H2,1,3-10H3,(H,68,76)(H,69,77)(H,80,81)(H,82,83);15,18,35,38-39,43,45-47,49-50,56,71H,11-14,16-17,19-34,36H2,1-10H3,(H,66,72)(H,67,73)(H,77,78)/t38-,43+,44-,46-,47+,48+,50?,51?,52+,57+,66+,67-;38-,39-,43+,45-,46+,47+,49?,50+,56+,63+,64-/m11/s1
• InChIKey: ZASMPZOHHRKOIS-VDYVOQARSA-N
• XLogP: 19.01
• TPSA: 538.75 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 56
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2443.20
LogP ≤ 5	19.01
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=C1C(C)=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]4[C@@H](O)C[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)=C1C.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]4[C@@H](O)C[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.

What is the InChIKey of 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?

The InChIKey is ZASMPZOHHRKOIS-VDYVOQARSA-N. The full InChI is InChI=1S/C67H96N6O14S2.C64H92N6O12S/c1-38(46-16-17-47-57-48(21-24-67(46,47)9)66(8)23-20-44(74)33-43(66)34-52(57)75)14-19-55(77)69-50(62(80)81)13-11-12-25-68-54(76)22-29-85-31-32-86-30-28-73(27-26-72(10)56(78)36-65(6,7)58-41(4)39(2)40(3)42(5)59(58)79)64(84)87-45-15-18-49-53(35-45)89-61(70-49)60-71-51(37-88-60)63(82)83;1-38-20-23-63(8)43(33-38)34-50(71)56-46-17-16-45(64(46,9)24-21-47(56)63)39(2)14-19-53(73)67-49(60(77)78)13-11-12-25-66-52(72)22-29-80-31-32-81-30-28-70(61(79)82-44-15-18-48-51(35-44)83-54(37-65)68-48)27-26-69(10)55(74)36-62(6,7)57-42(5)58(75)40(3)41(4)59(57)76/h15,18,35,38,43-44,46-48,50-52,57,74-75H,2,11-14,16-17,19-34,36-37H2,1,3-10H3,(H,68,76)(H,69,77)(H,80,81)(H,82,83);15,18,35,38-39,43,45-47,49-50,56,71H,11-14,16-17,19-34,36H2,1-10H3,(H,66,72)(H,67,73)(H,77,78)/t38-,43+,44-,46-,47+,48+,50?,51?,52+,57+,66+,67-;38-,39-,43+,45-,46+,47+,49?,50+,56+,63+,64-/m11/s1.

What are the key properties of 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?

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 has a molecular weight of 2443.20 g/mol, XLogP of 19.01, 56 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 162068171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).