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4-[2-[[6-azanyl-2-[[1-[1-[2-[[2-[[2-[2-[[2-[[6-azanyl-2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]hexanoyl]amino]propanoylamino]-5-[[1-(carboxymethylamino)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name:	4-[2-[[6-azanyl-2-[[1-[1-[2-[[2-[[2-[2-[[2-[[6-azanyl-2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]hexanoyl]amino]propanoylamino]-5-[[1-(carboxymethylamino)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid
Openeye Name:	4-[2-[[6-amino-2-[[1-[1-[2-[[2-[[2-[2-[[2-[[6-amino-2-[(2-amino-4-methylsulfanyl-butanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]propanoylamino]-5-[[1-(carboxymethylcarbamoyl)-2-hydroxy-propyl]amino]-5-oxo-pentanoic acid
CAS Name:	4-[[2-[[6-amino-2-[[[1-[[1-[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxohexyl]amino]-1-oxopropyl]amino]-5-[[1-(carboxymethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
IUPAC Name:	4-[2-[[6-amino-2-[[1-[1-[2-[[2-[[2-[2-[[2-[[6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]propanoylamino]-5-[[1-(carboxymethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Traditional Name:	4-[2-[[6-amino-2-[[1-[1-[2-[[2-[[2-[2-[[2-[[6-amino-2-[[2-amino-4-(methylthio)butanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]prolyl]prolyl]amino]hexanoyl]amino]propanoylamino]-5-[[1-(carboxymethylcarbamoyl)-2-hydroxy-propyl]amino]-5-keto-valeric acid
Formula:	C₇₃H₁₁₄N₁₆O₁₉S
MolecularWeight:	1551.84706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NCC(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CCCCN)NC(=O)C(CCSC)N

Isomeric SMILES

CC(C)CC(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NCC(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CCCCN)NC(=O)C(CCSC)N

InChI

InChI=1S/C73H114N16O19S/c1-40(2)36-54(72(107)89-34-17-23-56(89)73(108)88-33-16-22-55(88)69(104)82-49(20-12-14-31-74)64(99)78-42(5)61(96)80-51(28-29-57(92)93)66(101)87-60(44(7)90)70(105)77-39-58(94)95)85-68(103)53(38-46-24-26-47(91)27-25-46)84-71(106)59(41(3)4)86-62(97)43(6)79-67(102)52(37-45-18-10-9-11-19-45)83-65(100)50(21-13-15-32-75)81-63(98)48(76)30-35-109-8/h9-11,18-19,24-27,40-44,48-56,59-60,90-91H,12-17,20-23,28-39,74-76H2,1-8H3,(H,77,105)(H,78,99)(H,79,102)(H,80,96)(H,81,98)(H,82,104)(H,83,100)(H,84,106)(H,85,103)(H,86,97)(H,87,101)(H,92,93)(H,94,95)

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