(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-methylpentanoic acid;(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-[3-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoylamino]-2-oxopropyl]phenyl]pentanoic acid;(2S)-3-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-[[2-[(1R,3R)-1-methoxy-3-[methoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(4R)-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid

C220H324N24O42S4 — CID 159483346

IUPAC(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-methylpentanoic acid;(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-[3-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoylamino]-2-oxopropyl]phenyl]pentanoic acid;(2S)-3-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-[[2-[(1R,3R)-1-methoxy-3-[methoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(4R)-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid
SMILESC=C1C=CC(=O)N1CCCCCC(=O)NCC(=O)Cc1ccc(C[C@@H](CC(C)C(=O)O)NC(=O)c2csc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]3CCCCN3C)[C@@H](C)CC)OC(C)=O)n2)cc1.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(CC(=O)[C@H](CCCCN)NC(=O)CCCCCC3C(=O)C=CC3=O)cc2)CC(C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC)c1nc(C(=O)N[C@@H](Cc2ccc(CC(=O)[C@H](CCCCN)NC(=O)CCCCCC3C(=O)C=CC3=O)cc2)CC(C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCCN1C)C(=O)N(COC)[C@H](C[C@@H](OC)c1nc(C(=O)N[C@@H](Cc2ccc(CC(=O)[C@H](CCCCN)NC(=O)CCCCCC3C(=O)C=CC3=O)cc2)C(=O)O)cs1)C(C)C
InChIInChI=1S/C57H84N6O11S.C56H84N6O10S.C54H80N6O11S.C53H76N6O10S/c1-9-36(4)43(32-51(68)46-19-14-16-28-62(46)7)56(71)63(8)47(35(2)3)33-52(74-38(6)64)55-61-45(34-75-55)54(70)59-41(29-37(5)57(72)73)30-39-21-23-40(24-22-39)31-50(67)44(18-13-15-27-58)60-53(69)20-12-10-11-17-42-48(65)25-26-49(42)66;1-9-36(4)42(32-50(66)45-19-14-16-28-61(45)6)55(69)62(7)46(35(2)3)33-51(72-8)54-60-44(34-73-54)53(68)58-40(29-37(5)56(70)71)30-38-21-23-39(24-22-38)31-49(65)43(18-13-15-27-57)59-52(67)20-12-10-11-17-41-47(63)25-26-48(41)64;1-8-35(4)39(30-48(64)43-18-13-15-27-59(43)5)53(67)60(33-70-6)44(34(2)3)31-49(71-7)52-58-42(32-72-52)51(66)57-41(54(68)69)28-36-20-22-37(23-21-36)29-47(63)40(17-12-14-26-55)56-50(65)19-11-9-10-16-38-45(61)24-25-46(38)62;1-10-34(4)42(29-46(62)44-16-13-15-24-57(44)8)52(66)58(9)45(33(2)3)30-47(69-37(7)60)51-56-43(32-70-51)50(65)55-40(26-35(5)53(67)68)27-38-19-21-39(22-20-38)28-41(61)31-54-48(63)17-12-11-14-25-59-36(6)18-23-49(59)64/h21-26,34-37,41-44,46-47,52H,9-20,27-33,58H2,1-8H3,(H,59,70)(H,60,69)(H,72,73);21-26,34-37,40-43,45-46,51H,9-20,27-33,57H2,1-8H3,(H,58,68)(H,59,67)(H,70,71);20-25,32,34-35,38-41,43-44,49H,8-19,26-31,33,55H2,1-7H3,(H,56,65)(H,57,66)(H,68,69);18-23,32-35,40,42,44-45,47H,6,10-17,24-31H2,1-5,7-9H3,(H,54,63)(H,55,65)(H,67,68)/t36-,37?,41+,43-,44-,46+,47+,52+;36-,37?,40+,42-,43-,45+,46+,51+;35-,39-,40-,41-,43+,44+,49+;34-,35?,40+,42-,44+,45+,47+/m0000/s1
InChIKeyLXGVIEXGYFAZTR-ZOMYTWRXSA-N
MW4105.41 g/mol
LogP27.53
Rot. Bonds128

About (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-methylpentanoic acid;(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-[3-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoylamino]-2-oxopropyl]phenyl]pentanoic acid;(2S)-3-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-[[2-[(1R,3R)-1-methoxy-3-[methoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(4R)-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid

(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-methylpentanoic acid;(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-[3-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoylamino]-2-oxopropyl]phenyl]pentanoic acid;(2S)-3-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-[[2-[(1R,3R)-1-methoxy-3-[methoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(4R)-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid (PubChem CID 159483346) has the molecular formula C220H324N24O42S4 and a molecular weight of 4105.41 g/mol. Its IUPAC name is (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-methylpentanoic acid;(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-[3-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoylamino]-2-oxopropyl]phenyl]pentanoic acid;(2S)-3-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-[[2-[(1R,3R)-1-methoxy-3-[methoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(4R)-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-methylpentanoic acid;(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-[3-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoylamino]-2-oxopropyl]phenyl]pentanoic acid;(2S)-3-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-[[2-[(1R,3R)-1-methoxy-3-[methoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(4R)-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid
PubChem CID159483346
Molecular FormulaC220H324N24O42S4
Molecular Weight4105.41 g/mol
Exact Mass4102.28
IUPAC Name(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-methylpentanoic acid;(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-[3-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoylamino]-2-oxopropyl]phenyl]pentanoic acid;(2S)-3-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-[[2-[(1R,3R)-1-methoxy-3-[methoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(4R)-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid
SMILESC=C1C=CC(=O)N1CCCCCC(=O)NCC(=O)Cc1ccc(C[C@@H](CC(C)C(=O)O)NC(=O)c2csc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]3CCCCN3C)[C@@H](C)CC)OC(C)=O)n2)cc1.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(CC(=O)[C@H](CCCCN)NC(=O)CCCCCC3C(=O)C=CC3=O)cc2)CC(C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC)c1nc(C(=O)N[C@@H](Cc2ccc(CC(=O)[C@H](CCCCN)NC(=O)CCCCCC3C(=O)C=CC3=O)cc2)CC(C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCCN1C)C(=O)N(COC)[C@H](C[C@@H](OC)c1nc(C(=O)N[C@@H](Cc2ccc(CC(=O)[C@H](CCCCN)NC(=O)CCCCCC3C(=O)C=CC3=O)cc2)C(=O)O)cs1)C(C)C
InChIInChI=1S/C57H84N6O11S.C56H84N6O10S.C54H80N6O11S.C53H76N6O10S/c1-9-36(4)43(32-51(68)46-19-14-16-28-62(46)7)56(71)63(8)47(35(2)3)33-52(74-38(6)64)55-61-45(34-75-55)54(70)59-41(29-37(5)57(72)73)30-39-21-23-40(24-22-39)31-50(67)44(18-13-15-27-58)60-53(69)20-12-10-11-17-42-48(65)25-26-49(42)66;1-9-36(4)42(32-50(66)45-19-14-16-28-61(45)6)55(69)62(7)46(35(2)3)33-51(72-8)54-60-44(34-73-54)53(68)58-40(29-37(5)56(70)71)30-38-21-23-39(24-22-38)31-49(65)43(18-13-15-27-57)59-52(67)20-12-10-11-17-41-47(63)25-26-48(41)64;1-8-35(4)39(30-48(64)43-18-13-15-27-59(43)5)53(67)60(33-70-6)44(34(2)3)31-49(71-7)52-58-42(32-72-52)51(66)57-41(54(68)69)28-36-20-22-37(23-21-36)29-47(63)40(17-12-14-26-55)56-50(65)19-11-9-10-16-38-45(61)24-25-46(38)62;1-10-34(4)42(29-46(62)44-16-13-15-24-57(44)8)52(66)58(9)45(33(2)3)30-47(69-37(7)60)51-56-43(32-70-51)50(65)55-40(26-35(5)53(67)68)27-38-19-21-39(22-20-38)28-41(61)31-54-48(63)17-12-11-14-25-59-36(6)18-23-49(59)64/h21-26,34-37,41-44,46-47,52H,9-20,27-33,58H2,1-8H3,(H,59,70)(H,60,69)(H,72,73);21-26,34-37,40-43,45-46,51H,9-20,27-33,57H2,1-8H3,(H,58,68)(H,59,67)(H,70,71);20-25,32,34-35,38-41,43-44,49H,8-19,26-31,33,55H2,1-7H3,(H,56,65)(H,57,66)(H,68,69);18-23,32-35,40,42,44-45,47H,6,10-17,24-31H2,1-5,7-9H3,(H,54,63)(H,55,65)(H,67,68)/t36-,37?,41+,43-,44-,46+,47+,52+;36-,37?,40+,42-,43-,45+,46+,51+;35-,39-,40-,41-,43+,44+,49+;34-,35?,40+,42-,44+,45+,47+/m0000/s1
InChIKeyLXGVIEXGYFAZTR-ZOMYTWRXSA-N
XLogP27.53
TPSA945.40 Ų
H-Bond Donors15
H-Bond Acceptors53
Rotatable Bonds128
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004105.41
LogP ≤ 527.53
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1053

Analyze (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-methylpentanoic acid;(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-[3-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoylamino]-2-oxopropyl]phenyl]pentanoic acid;(2S)-3-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-[[2-[(1R,3R)-1-methoxy-3-[methoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(4R)-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(4R)-5-[4-[(3S)-8-amino-3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,8-dioxooctyl]phenyl]-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid
CID 161184685
(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(3S)-8-amino-3-[[(2S)-9-(3-methylsulfanyl-2,5-dioxocyclopentyl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2,8-dioxooctyl]phenyl]-2-methylpentanoic acid;(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(3S)-7-amino-3-[6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-methylpentanoic acid;(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-[3-[6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-2-oxopropyl]phenyl]pentanoic acid;(4R)-5-[4-[(3S)-7-amino-3-[6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid
CID 158205694
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[2-[(3S)-8-amino-3-[[(2S)-9-(2-methylidene-5-oxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2,8-dioxooctyl]phenyl]-2-methylpentanoic acid
CID 159347716
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[[(2R,4R)-1,4-dimethylpiperidine-2-carbonyl]amino]-3-methylpentanoyl]-ethylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[[(2S)-6-amino-2-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoylamino]hexanoyl]amino]phenyl]-2-methylpentanoic acid
CID 131998996
(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[3-[5-(2,5-dioxopyrrol-1-yl)pentanoylamino]-4-phosphonooxyphenyl]-2-methylpentanoic acid
CID 159382029
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[2-methoxyethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-methoxyphenyl)-2-methylpentanoic acid
CID 58391142
(2S,4R)-4-[[2-[(1R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 158927688
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carboxylic acid
CID 157452068
(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[3-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-phosphonooxycarbonyloxyphenyl]-2-methylpentanoic acid
CID 160628431
[(1R,3R)-1-[4-[[(2R)-1-[4-[(3R,6S)-6-[3-[2-[2-[7-(2,5-dioxopyrrol-1-yl)-4-oxoheptoxy]ethoxy]ethoxy]propanoylamino]-3-methyl-2,5-dioxoheptyl]phenyl]pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]pentyl] acetate
CID 160620360
4-[[2-[1-acetyloxy-3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-methoxyphenyl)-2-methylpentanoic acid
CID 58391113
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 58391181

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-methylpentanoic acid;(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-[3-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoylamino]-2-oxopropyl]phenyl]pentanoic acid;(2S)-3-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-[[2-[(1R,3R)-1-methoxy-3-[methoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(4R)-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid?
The IUPAC name of (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-methylpentanoic acid;(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-[3-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoylamino]-2-oxopropyl]phenyl]pentanoic acid;(2S)-3-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-[[2-[(1R,3R)-1-methoxy-3-[methoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(4R)-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid (CID 159483346) is (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-methylpentanoic acid;(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-[3-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoylamino]-2-oxopropyl]phenyl]pentanoic acid;(2S)-3-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-[[2-[(1R,3R)-1-methoxy-3-[methoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(4R)-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-methylpentanoic acid;(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-[3-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoylamino]-2-oxopropyl]phenyl]pentanoic acid;(2S)-3-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-[[2-[(1R,3R)-1-methoxy-3-[methoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(4R)-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid?
The canonical SMILES for (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-methylpentanoic acid;(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-[3-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoylamino]-2-oxopropyl]phenyl]pentanoic acid;(2S)-3-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-[[2-[(1R,3R)-1-methoxy-3-[methoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(4R)-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid is C=C1C=CC(=O)N1CCCCCC(=O)NCC(=O)Cc1ccc(C[C@@H](CC(C)C(=O)O)NC(=O)c2csc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]3CCCCN3C)[C@@H](C)CC)OC(C)=O)n2)cc1.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(CC(=O)[C@H](CCCCN)NC(=O)CCCCCC3C(=O)C=CC3=O)cc2)CC(C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC)c1nc(C(=O)N[C@@H](Cc2ccc(CC(=O)[C@H](CCCCN)NC(=O)CCCCCC3C(=O)C=CC3=O)cc2)CC(C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCCN1C)C(=O)N(COC)[C@H](C[C@@H](OC)c1nc(C(=O)N[C@@H](Cc2ccc(CC(=O)[C@H](CCCCN)NC(=O)CCCCCC3C(=O)C=CC3=O)cc2)C(=O)O)cs1)C(C)C.
What is the InChIKey of (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-methylpentanoic acid;(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-[3-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoylamino]-2-oxopropyl]phenyl]pentanoic acid;(2S)-3-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-[[2-[(1R,3R)-1-methoxy-3-[methoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(4R)-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid?
The InChIKey is LXGVIEXGYFAZTR-ZOMYTWRXSA-N. The full InChI is InChI=1S/C57H84N6O11S.C56H84N6O10S.C54H80N6O11S.C53H76N6O10S/c1-9-36(4)43(32-51(68)46-19-14-16-28-62(46)7)56(71)63(8)47(35(2)3)33-52(74-38(6)64)55-61-45(34-75-55)54(70)59-41(29-37(5)57(72)73)30-39-21-23-40(24-22-39)31-50(67)44(18-13-15-27-58)60-53(69)20-12-10-11-17-42-48(65)25-26-49(42)66;1-9-36(4)42(32-50(66)45-19-14-16-28-61(45)6)55(69)62(7)46(35(2)3)33-51(72-8)54-60-44(34-73-54)53(68)58-40(29-37(5)56(70)71)30-38-21-23-39(24-22-38)31-49(65)43(18-13-15-27-57)59-52(67)20-12-10-11-17-41-47(63)25-26-48(41)64;1-8-35(4)39(30-48(64)43-18-13-15-27-59(43)5)53(67)60(33-70-6)44(34(2)3)31-49(71-7)52-58-42(32-72-52)51(66)57-41(54(68)69)28-36-20-22-37(23-21-36)29-47(63)40(17-12-14-26-55)56-50(65)19-11-9-10-16-38-45(61)24-25-46(38)62;1-10-34(4)42(29-46(62)44-16-13-15-24-57(44)8)52(66)58(9)45(33(2)3)30-47(69-37(7)60)51-56-43(32-70-51)50(65)55-40(26-35(5)53(67)68)27-38-19-21-39(22-20-38)28-41(61)31-54-48(63)17-12-11-14-25-59-36(6)18-23-49(59)64/h21-26,34-37,41-44,46-47,52H,9-20,27-33,58H2,1-8H3,(H,59,70)(H,60,69)(H,72,73);21-26,34-37,40-43,45-46,51H,9-20,27-33,57H2,1-8H3,(H,58,68)(H,59,67)(H,70,71);20-25,32,34-35,38-41,43-44,49H,8-19,26-31,33,55H2,1-7H3,(H,56,65)(H,57,66)(H,68,69);18-23,32-35,40,42,44-45,47H,6,10-17,24-31H2,1-5,7-9H3,(H,54,63)(H,55,65)(H,67,68)/t36-,37?,41+,43-,44-,46+,47+,52+;36-,37?,40+,42-,43-,45+,46+,51+;35-,39-,40-,41-,43+,44+,49+;34-,35?,40+,42-,44+,45+,47+/m0000/s1.
What are the key properties of (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-methylpentanoic acid;(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-[3-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoylamino]-2-oxopropyl]phenyl]pentanoic acid;(2S)-3-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-[[2-[(1R,3R)-1-methoxy-3-[methoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(4R)-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid?
(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-methylpentanoic acid;(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-[3-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoylamino]-2-oxopropyl]phenyl]pentanoic acid;(2S)-3-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-[[2-[(1R,3R)-1-methoxy-3-[methoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(4R)-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid has a molecular weight of 4105.41 g/mol, XLogP of 27.53, 128 rotatable bonds, 15 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-methylpentanoic acid;(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-[3-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoylamino]-2-oxopropyl]phenyl]pentanoic acid;(2S)-3-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-2-[[2-[(1R,3R)-1-methoxy-3-[methoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(4R)-5-[4-[(3S)-7-amino-3-[6-(2,5-dioxocyclopent-3-en-1-yl)hexanoylamino]-2-oxoheptyl]phenyl]-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 159483346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).