(5R)-5-[[(2R)-7-amino-2-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]propanoyl]amino]-7-iminoheptanoyl]amino]-2-[[1-[3-[(2Z)-2-[1-[4-[[(2S)-1-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]ethylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid;(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(4R,7R)-1-carbamimidamido-7-(carboxymethyl)-8-[[(2R,5S)-1,5-dicarboxy-6-[1-[2-[[(3Z)-3-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]carbamoylhydrazinylidene]butoxy]-(4-methylphenyl)methoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3-oxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-oxononanedioic acid;bis(carbon dioxide);hydrazine

C185H201Cl2N43O45S2 — CID 172939046

IUPAC(5R)-5-[[(2R)-7-amino-2-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]propanoyl]amino]-7-iminoheptanoyl]amino]-2-[[1-[3-[(2Z)-2-[1-[4-[[(2S)-1-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]ethylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid;(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(4R,7R)-1-carbamimidamido-7-(carboxymethyl)-8-[[(2R,5S)-1,5-dicarboxy-6-[1-[2-[[(3Z)-3-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]carbamoylhydrazinylidene]butoxy]-(4-methylphenyl)methoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3-oxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-oxononanedioic acid;bis(carbon dioxide);hydrazine
SMILESNN.O=C=O.O=C=O.[H]/N=C(\N)CCCC[C@@H](NC(=O)[C@H](C)NC(=O)CCCNC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)N[C@H](CC(=O)O)C(=O)CC(CSC1CC(=O)N(CCC(=O)N/N=C(/C)c2ccc(C(=O)N[C@H](C(=O)Nc3ccc4[nH]c(C(=O)Nc5ccc6[nH]c(C(=O)N7CC(CCl)c8c7cc(C)c7ccccc87)cc6c5)cc4c3)C(C)C)cc2)C1=O)C(=O)O.[H]/N=C(\N)NCCC[C@@H](NC(=O)[C@@H](CC(=O)O)CC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)O)C(=O)CC(CC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)C[C@H](CSC1CC(=O)N(CCOC(OCC/C(C)=N\NC(=O)Nc2ccc3[nH]c(C(=O)Nc4ccc5[nH]c(C(=O)N6CC(CCl)c7c6cc(C)c6ccccc76)cc5c4)cc3c2)c2ccc(C)cc2)C1=O)C(=O)O
InChIInChI=1S/C94H101ClN20O24S.C89H96ClN21O17S.2CO2.H4N2/c1-46-10-12-50(13-11-46)91(138-27-24-48(3)112-113-94(137)104-59-19-22-64-51(31-59)33-69(105-64)85(129)103-58-18-21-65-52(30-58)34-70(106-65)87(131)115-44-56(41-95)79-63-8-5-4-7-62(63)47(2)29-71(79)115)139-28-26-114-75(119)40-74(88(114)132)140-45-55(89(133)134)36-73(118)68(39-78(124)125)109-84(128)54(38-77(122)123)35-72(117)66(9-6-25-99-92(96)97)107-83(127)53(37-76(120)121)32-61(116)20-23-67(90(135)136)108-82(126)49-14-16-57(17-15-49)100-42-60-43-101-81-80(102-60)86(130)111-93(98)110-81;1-44(2)76(84(123)100-57-25-26-61-51(32-57)34-65(101-61)83(122)99-56-24-27-62-52(33-56)35-66(102-62)86(125)111-42-54(39-90)75-60-12-7-6-11-59(60)45(3)31-67(75)111)105-81(120)50-18-16-48(17-19-50)46(4)108-109-72(114)28-30-110-73(115)38-69(87(110)126)129-43-53(88(127)128)36-68(112)64(37-74(116)117)104-82(121)63(13-8-9-14-70(91)92)103-79(118)47(5)97-71(113)15-10-29-94-80(119)49-20-22-55(23-21-49)95-40-58-41-96-78-77(98-58)85(124)107-89(93)106-78;2*2-1-3;1-2/h4-5,7-8,10-19,21-22,29-31,33-34,43,53-56,66-68,74,91,100,105-106H,6,9,20,23-28,32,35-42,44-45H2,1-3H3,(H,103,129)(H,107,127)(H,108,126)(H,109,128)(H,120,121)(H,122,123)(H,124,125)(H,133,134)(H,135,136)(H4,96,97,99)(H2,104,113,137)(H3,98,101,110,111,130);6-7,11-12,16-27,31-35,41,44,47,53-54,63-64,69,76,95,101-102H,8-10,13-15,28-30,36-40,42-43H2,1-5H3,(H3,91,92)(H,94,119)(H,97,113)(H,99,122)(H,100,123)(H,103,118)(H,104,121)(H,105,120)(H,109,114)(H,116,117)(H,127,128)(H3,93,96,106,107,124);;;1-2H2/b112-48-;108-46-;;;/t53-,54?,55-,56?,66-,67+,68-,74?,91?;47-,53?,54?,63+,64+,69?,76-;;;/m10.../s1
InChIKeyAWLQUQZDVIMBRC-SNAXBOITSA-N
MW3881.94 g/mol
LogP12.50
Rot. Bonds91

About (5R)-5-[[(2R)-7-amino-2-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]propanoyl]amino]-7-iminoheptanoyl]amino]-2-[[1-[3-[(2Z)-2-[1-[4-[[(2S)-1-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]ethylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid;(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(4R,7R)-1-carbamimidamido-7-(carboxymethyl)-8-[[(2R,5S)-1,5-dicarboxy-6-[1-[2-[[(3Z)-3-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]carbamoylhydrazinylidene]butoxy]-(4-methylphenyl)methoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3-oxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-oxononanedioic acid;bis(carbon dioxide);hydrazine

(5R)-5-[[(2R)-7-amino-2-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]propanoyl]amino]-7-iminoheptanoyl]amino]-2-[[1-[3-[(2Z)-2-[1-[4-[[(2S)-1-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]ethylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid;(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(4R,7R)-1-carbamimidamido-7-(carboxymethyl)-8-[[(2R,5S)-1,5-dicarboxy-6-[1-[2-[[(3Z)-3-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]carbamoylhydrazinylidene]butoxy]-(4-methylphenyl)methoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3-oxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-oxononanedioic acid;bis(carbon dioxide);hydrazine (PubChem CID 172939046) has the molecular formula C185H201Cl2N43O45S2 and a molecular weight of 3881.94 g/mol. Its IUPAC name is (5R)-5-[[(2R)-7-amino-2-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]propanoyl]amino]-7-iminoheptanoyl]amino]-2-[[1-[3-[(2Z)-2-[1-[4-[[(2S)-1-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]ethylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid;(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(4R,7R)-1-carbamimidamido-7-(carboxymethyl)-8-[[(2R,5S)-1,5-dicarboxy-6-[1-[2-[[(3Z)-3-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]carbamoylhydrazinylidene]butoxy]-(4-methylphenyl)methoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3-oxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-oxononanedioic acid;bis(carbon dioxide);hydrazine.

Molecular Properties

Compound Name(5R)-5-[[(2R)-7-amino-2-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]propanoyl]amino]-7-iminoheptanoyl]amino]-2-[[1-[3-[(2Z)-2-[1-[4-[[(2S)-1-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]ethylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid;(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(4R,7R)-1-carbamimidamido-7-(carboxymethyl)-8-[[(2R,5S)-1,5-dicarboxy-6-[1-[2-[[(3Z)-3-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]carbamoylhydrazinylidene]butoxy]-(4-methylphenyl)methoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3-oxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-oxononanedioic acid;bis(carbon dioxide);hydrazine
PubChem CID172939046
Molecular FormulaC185H201Cl2N43O45S2
Molecular Weight3881.94 g/mol
Exact Mass3878.36
IUPAC Name(5R)-5-[[(2R)-7-amino-2-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]propanoyl]amino]-7-iminoheptanoyl]amino]-2-[[1-[3-[(2Z)-2-[1-[4-[[(2S)-1-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]ethylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid;(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(4R,7R)-1-carbamimidamido-7-(carboxymethyl)-8-[[(2R,5S)-1,5-dicarboxy-6-[1-[2-[[(3Z)-3-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]carbamoylhydrazinylidene]butoxy]-(4-methylphenyl)methoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3-oxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-oxononanedioic acid;bis(carbon dioxide);hydrazine
SMILESNN.O=C=O.O=C=O.[H]/N=C(\N)CCCC[C@@H](NC(=O)[C@H](C)NC(=O)CCCNC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)N[C@H](CC(=O)O)C(=O)CC(CSC1CC(=O)N(CCC(=O)N/N=C(/C)c2ccc(C(=O)N[C@H](C(=O)Nc3ccc4[nH]c(C(=O)Nc5ccc6[nH]c(C(=O)N7CC(CCl)c8c7cc(C)c7ccccc87)cc6c5)cc4c3)C(C)C)cc2)C1=O)C(=O)O.[H]/N=C(\N)NCCC[C@@H](NC(=O)[C@@H](CC(=O)O)CC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)O)C(=O)CC(CC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)C[C@H](CSC1CC(=O)N(CCOC(OCC/C(C)=N\NC(=O)Nc2ccc3[nH]c(C(=O)Nc4ccc5[nH]c(C(=O)N6CC(CCl)c7c6cc(C)c6ccccc76)cc5c4)cc3c2)c2ccc(C)cc2)C1=O)C(=O)O
InChIInChI=1S/C94H101ClN20O24S.C89H96ClN21O17S.2CO2.H4N2/c1-46-10-12-50(13-11-46)91(138-27-24-48(3)112-113-94(137)104-59-19-22-64-51(31-59)33-69(105-64)85(129)103-58-18-21-65-52(30-58)34-70(106-65)87(131)115-44-56(41-95)79-63-8-5-4-7-62(63)47(2)29-71(79)115)139-28-26-114-75(119)40-74(88(114)132)140-45-55(89(133)134)36-73(118)68(39-78(124)125)109-84(128)54(38-77(122)123)35-72(117)66(9-6-25-99-92(96)97)107-83(127)53(37-76(120)121)32-61(116)20-23-67(90(135)136)108-82(126)49-14-16-57(17-15-49)100-42-60-43-101-81-80(102-60)86(130)111-93(98)110-81;1-44(2)76(84(123)100-57-25-26-61-51(32-57)34-65(101-61)83(122)99-56-24-27-62-52(33-56)35-66(102-62)86(125)111-42-54(39-90)75-60-12-7-6-11-59(60)45(3)31-67(75)111)105-81(120)50-18-16-48(17-19-50)46(4)108-109-72(114)28-30-110-73(115)38-69(87(110)126)129-43-53(88(127)128)36-68(112)64(37-74(116)117)104-82(121)63(13-8-9-14-70(91)92)103-79(118)47(5)97-71(113)15-10-29-94-80(119)49-20-22-55(23-21-49)95-40-58-41-96-78-77(98-58)85(124)107-89(93)106-78;2*2-1-3;1-2/h4-5,7-8,10-19,21-22,29-31,33-34,43,53-56,66-68,74,91,100,105-106H,6,9,20,23-28,32,35-42,44-45H2,1-3H3,(H,103,129)(H,107,127)(H,108,126)(H,109,128)(H,120,121)(H,122,123)(H,124,125)(H,133,134)(H,135,136)(H4,96,97,99)(H2,104,113,137)(H3,98,101,110,111,130);6-7,11-12,16-27,31-35,41,44,47,53-54,63-64,69,76,95,101-102H,8-10,13-15,28-30,36-40,42-43H2,1-5H3,(H3,91,92)(H,94,119)(H,97,113)(H,99,122)(H,100,123)(H,103,118)(H,104,121)(H,105,120)(H,109,114)(H,116,117)(H,127,128)(H3,93,96,106,107,124);;;1-2H2/b112-48-;108-46-;;;/t53-,54?,55-,56?,66-,67+,68-,74?,91?;47-,53?,54?,63+,64+,69?,76-;;;/m10.../s1
InChIKeyAWLQUQZDVIMBRC-SNAXBOITSA-N
XLogP12.50
TPSA1392.68 Ų
H-Bond Donors38
H-Bond Acceptors56
Rotatable Bonds91
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003881.94
LogP ≤ 512.50
H-Bond Donors ≤ 538
H-Bond Acceptors ≤ 1056

Analyze (5R)-5-[[(2R)-7-amino-2-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]propanoyl]amino]-7-iminoheptanoyl]amino]-2-[[1-[3-[(2Z)-2-[1-[4-[[(2S)-1-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]ethylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid;(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(4R,7R)-1-carbamimidamido-7-(carboxymethyl)-8-[[(2R,5S)-1,5-dicarboxy-6-[1-[2-[[(3Z)-3-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]carbamoylhydrazinylidene]butoxy]-(4-methylphenyl)methoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3-oxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-oxononanedioic acid;bis(carbon dioxide);hydrazine with MolForge

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Related Compounds

(5R)-5-[[(2R)-7-amino-2-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]propanoyl]amino]-7-iminoheptanoyl]amino]-2-[[1-[3-[(2Z)-2-[1-[4-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]ethylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid;bis(carbon dioxide);N-[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-5-methyl-1H-indole-2-carboxamide
CID 172963898
(2S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[(2E)-2-[[2-[[2-[5-acetyloxy-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]carbamoylhydrazinylidene]propyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid
CID 122456228
(2S,7S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(4S,7S)-7-(carboxymethyl)-8-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-1-(diaminomethylideneamino)-5,8-dioxooctan-4-yl]carbamoyl]-5-oxononanedioic acid;[1-(chloromethyl)-3-[5-[2-[5-[[(2S,7Z)-7-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylhydrazinylidene]-4-oxo-2-propan-2-yloctanoyl]amino]-1H-indol-2-yl]-2-oxoethyl]-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] acetate
CID 172971349
(5R)-5-[[(2R)-7-amino-2-[[(2S)-2-[4-[[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]benzoyl]amino]butanoylamino]propanoyl]amino]-7-iminoheptanoyl]amino]-2-[[1-[3-[2-[1-[4-[2-[[(3S)-4-methyl-1-(2-methyl-1H-indol-5-yl)-2-oxopentan-3-yl]amino]-2-oxoethoxy]phenyl]ethylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid
CID 160785709
(2R,5S)-5-[[(2R)-7-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-2-[3-(diaminomethylideneamino)propyl]-4-oxoheptanoyl]amino]-4-oxo-2-[(3-oxopentyldisulfanyl)methyl]heptanedioic acid;carbon dioxide;[1-(chloromethyl)-3-[5-[2-(5-methyl-1H-indol-2-yl)-2-oxoethyl]-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] acetate
CID 176536367
(3R,4S)-4-[[(2S)-2-[[(4S)-4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-[[(1R)-1-carboxy-2-methylsulfanylethyl]carbamoyl]-7-(diaminomethylideneamino)heptanoic acid;N-[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-5-[[(E)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethylideneamino]carbamoylamino]-1H-indene-2-carboxamide
CID 172956406
2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[[1-carboxy-2-[[3-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-oxopropyl]disulfanyl]ethyl]amino]-7-[[[2-[carboxymethyl(ethyl)amino]acetyl]amino]methyl]-5,8-dioxooctanoic acid
CID 158250409
(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-[[3-[[2-[[2-(5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl)-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-oxopropyl]disulfanyl]ethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 122454974
(2R,5S)-5-[[(2R,5S)-5-[[(4S)-4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]-2-(3-carbamimidamidopropyl)-6-carboxy-4-oxohexanoyl]amino]-2-[[1-[3-[(2E)-2-[5-[2-[3-[(4S,6S,7R,8S)-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]propyldisulfanyl]ethylamino]-5-oxopentan-2-ylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid
CID 172930555
(2R,5S)-2-[[1-[2-[[(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-2-(acetyloxymethyl)-1,5-dimethyl-4-(3-methylbutanoyloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-(4-methylphenyl)methoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-5-[[(2R,7S)-7-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-carboxy-2-[3-(diaminomethylideneamino)propyl]-4-oxoheptanoyl]amino]-4-oxoheptanedioic acid
CID 159322038
(2S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[(2E)-2-[5-[2-[2-[[(3S,3aR,4R)-4-(3-amino-3-oxopropyl)-3a-methoxy-3,7-dimethyl-5,8-dioxo-1,2,3,4-tetrahydroimidazo[1,5-a]indol-6-yl]amino]ethyldisulfanyl]ethylamino]-5-oxopentan-2-ylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid
CID 122608389
(2R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[1-[2-[[1-(chloromethyl)-3-[5-(1H-indole-2-carbonylamino)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]oxycarbonyloxy]ethyldisulfanyl]-2-methylpropan-2-yl]amino]pentanoic acid
CID 137263866

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[(2R)-7-amino-2-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]propanoyl]amino]-7-iminoheptanoyl]amino]-2-[[1-[3-[(2Z)-2-[1-[4-[[(2S)-1-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]ethylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid;(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(4R,7R)-1-carbamimidamido-7-(carboxymethyl)-8-[[(2R,5S)-1,5-dicarboxy-6-[1-[2-[[(3Z)-3-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]carbamoylhydrazinylidene]butoxy]-(4-methylphenyl)methoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3-oxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-oxononanedioic acid;bis(carbon dioxide);hydrazine?
The IUPAC name of (5R)-5-[[(2R)-7-amino-2-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]propanoyl]amino]-7-iminoheptanoyl]amino]-2-[[1-[3-[(2Z)-2-[1-[4-[[(2S)-1-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]ethylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid;(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(4R,7R)-1-carbamimidamido-7-(carboxymethyl)-8-[[(2R,5S)-1,5-dicarboxy-6-[1-[2-[[(3Z)-3-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]carbamoylhydrazinylidene]butoxy]-(4-methylphenyl)methoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3-oxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-oxononanedioic acid;bis(carbon dioxide);hydrazine (CID 172939046) is (5R)-5-[[(2R)-7-amino-2-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]propanoyl]amino]-7-iminoheptanoyl]amino]-2-[[1-[3-[(2Z)-2-[1-[4-[[(2S)-1-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]ethylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid;(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(4R,7R)-1-carbamimidamido-7-(carboxymethyl)-8-[[(2R,5S)-1,5-dicarboxy-6-[1-[2-[[(3Z)-3-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]carbamoylhydrazinylidene]butoxy]-(4-methylphenyl)methoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3-oxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-oxononanedioic acid;bis(carbon dioxide);hydrazine.
What is the SMILES notation for (5R)-5-[[(2R)-7-amino-2-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]propanoyl]amino]-7-iminoheptanoyl]amino]-2-[[1-[3-[(2Z)-2-[1-[4-[[(2S)-1-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]ethylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid;(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(4R,7R)-1-carbamimidamido-7-(carboxymethyl)-8-[[(2R,5S)-1,5-dicarboxy-6-[1-[2-[[(3Z)-3-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]carbamoylhydrazinylidene]butoxy]-(4-methylphenyl)methoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3-oxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-oxononanedioic acid;bis(carbon dioxide);hydrazine?
The canonical SMILES for (5R)-5-[[(2R)-7-amino-2-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]propanoyl]amino]-7-iminoheptanoyl]amino]-2-[[1-[3-[(2Z)-2-[1-[4-[[(2S)-1-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]ethylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid;(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(4R,7R)-1-carbamimidamido-7-(carboxymethyl)-8-[[(2R,5S)-1,5-dicarboxy-6-[1-[2-[[(3Z)-3-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]carbamoylhydrazinylidene]butoxy]-(4-methylphenyl)methoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3-oxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-oxononanedioic acid;bis(carbon dioxide);hydrazine is NN.O=C=O.O=C=O.[H]/N=C(\N)CCCC[C@@H](NC(=O)[C@H](C)NC(=O)CCCNC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)N[C@H](CC(=O)O)C(=O)CC(CSC1CC(=O)N(CCC(=O)N/N=C(/C)c2ccc(C(=O)N[C@H](C(=O)Nc3ccc4[nH]c(C(=O)Nc5ccc6[nH]c(C(=O)N7CC(CCl)c8c7cc(C)c7ccccc87)cc6c5)cc4c3)C(C)C)cc2)C1=O)C(=O)O.[H]/N=C(\N)NCCC[C@@H](NC(=O)[C@@H](CC(=O)O)CC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)O)C(=O)CC(CC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)C[C@H](CSC1CC(=O)N(CCOC(OCC/C(C)=N\NC(=O)Nc2ccc3[nH]c(C(=O)Nc4ccc5[nH]c(C(=O)N6CC(CCl)c7c6cc(C)c6ccccc76)cc5c4)cc3c2)c2ccc(C)cc2)C1=O)C(=O)O.
What is the InChIKey of (5R)-5-[[(2R)-7-amino-2-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]propanoyl]amino]-7-iminoheptanoyl]amino]-2-[[1-[3-[(2Z)-2-[1-[4-[[(2S)-1-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]ethylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid;(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(4R,7R)-1-carbamimidamido-7-(carboxymethyl)-8-[[(2R,5S)-1,5-dicarboxy-6-[1-[2-[[(3Z)-3-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]carbamoylhydrazinylidene]butoxy]-(4-methylphenyl)methoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3-oxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-oxononanedioic acid;bis(carbon dioxide);hydrazine?
The InChIKey is AWLQUQZDVIMBRC-SNAXBOITSA-N. The full InChI is InChI=1S/C94H101ClN20O24S.C89H96ClN21O17S.2CO2.H4N2/c1-46-10-12-50(13-11-46)91(138-27-24-48(3)112-113-94(137)104-59-19-22-64-51(31-59)33-69(105-64)85(129)103-58-18-21-65-52(30-58)34-70(106-65)87(131)115-44-56(41-95)79-63-8-5-4-7-62(63)47(2)29-71(79)115)139-28-26-114-75(119)40-74(88(114)132)140-45-55(89(133)134)36-73(118)68(39-78(124)125)109-84(128)54(38-77(122)123)35-72(117)66(9-6-25-99-92(96)97)107-83(127)53(37-76(120)121)32-61(116)20-23-67(90(135)136)108-82(126)49-14-16-57(17-15-49)100-42-60-43-101-81-80(102-60)86(130)111-93(98)110-81;1-44(2)76(84(123)100-57-25-26-61-51(32-57)34-65(101-61)83(122)99-56-24-27-62-52(33-56)35-66(102-62)86(125)111-42-54(39-90)75-60-12-7-6-11-59(60)45(3)31-67(75)111)105-81(120)50-18-16-48(17-19-50)46(4)108-109-72(114)28-30-110-73(115)38-69(87(110)126)129-43-53(88(127)128)36-68(112)64(37-74(116)117)104-82(121)63(13-8-9-14-70(91)92)103-79(118)47(5)97-71(113)15-10-29-94-80(119)49-20-22-55(23-21-49)95-40-58-41-96-78-77(98-58)85(124)107-89(93)106-78;2*2-1-3;1-2/h4-5,7-8,10-19,21-22,29-31,33-34,43,53-56,66-68,74,91,100,105-106H,6,9,20,23-28,32,35-42,44-45H2,1-3H3,(H,103,129)(H,107,127)(H,108,126)(H,109,128)(H,120,121)(H,122,123)(H,124,125)(H,133,134)(H,135,136)(H4,96,97,99)(H2,104,113,137)(H3,98,101,110,111,130);6-7,11-12,16-27,31-35,41,44,47,53-54,63-64,69,76,95,101-102H,8-10,13-15,28-30,36-40,42-43H2,1-5H3,(H3,91,92)(H,94,119)(H,97,113)(H,99,122)(H,100,123)(H,103,118)(H,104,121)(H,105,120)(H,109,114)(H,116,117)(H,127,128)(H3,93,96,106,107,124);;;1-2H2/b112-48-;108-46-;;;/t53-,54?,55-,56?,66-,67+,68-,74?,91?;47-,53?,54?,63+,64+,69?,76-;;;/m10.../s1.
What are the key properties of (5R)-5-[[(2R)-7-amino-2-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]propanoyl]amino]-7-iminoheptanoyl]amino]-2-[[1-[3-[(2Z)-2-[1-[4-[[(2S)-1-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]ethylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid;(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(4R,7R)-1-carbamimidamido-7-(carboxymethyl)-8-[[(2R,5S)-1,5-dicarboxy-6-[1-[2-[[(3Z)-3-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]carbamoylhydrazinylidene]butoxy]-(4-methylphenyl)methoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3-oxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-oxononanedioic acid;bis(carbon dioxide);hydrazine?
(5R)-5-[[(2R)-7-amino-2-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]propanoyl]amino]-7-iminoheptanoyl]amino]-2-[[1-[3-[(2Z)-2-[1-[4-[[(2S)-1-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]ethylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid;(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(4R,7R)-1-carbamimidamido-7-(carboxymethyl)-8-[[(2R,5S)-1,5-dicarboxy-6-[1-[2-[[(3Z)-3-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]carbamoylhydrazinylidene]butoxy]-(4-methylphenyl)methoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3-oxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-oxononanedioic acid;bis(carbon dioxide);hydrazine has a molecular weight of 3881.94 g/mol, XLogP of 12.50, 91 rotatable bonds, 38 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[(2R)-7-amino-2-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]propanoyl]amino]-7-iminoheptanoyl]amino]-2-[[1-[3-[(2Z)-2-[1-[4-[[(2S)-1-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]ethylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylmethyl]-4-oxoheptanedioic acid;(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(4R,7R)-1-carbamimidamido-7-(carboxymethyl)-8-[[(2R,5S)-1,5-dicarboxy-6-[1-[2-[[(3Z)-3-[[2-[[2-[1-(chloromethyl)-5-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]carbamoylhydrazinylidene]butoxy]-(4-methylphenyl)methoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3-oxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-oxononanedioic acid;bis(carbon dioxide);hydrazine is sourced from PubChem (CID 172939046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).