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4-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-[[1-[[1-[[4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-

Systemtic Name:	4-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-[[1-[[1-[[4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-
Openeye Name:	5-[[1-[[1-[(3-amino-1-carboxy-3-oxo-propyl)carbamoyl]-2-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-4-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoic acid
CAS Name:	5-[[1-[[1-[(4-amino-1-hydroxy-1,4-dioxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-oxopentanoic acid
IUPAC Name:	5-[[1-[[1-[(4-amino-1-hydroxy-1,4-dioxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
Traditional Name:	5-[[1-[[1-[(3-amino-1-carboxy-3-keto-propyl)carbamoyl]-2-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-4-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-4-(methylthio)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]prolyl]amino]-5-keto-valeric acid
Formula:	C₇₇H₁₁₇N₁₅O₂₆S
MolecularWeight:	1700.90278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CCSC)N

Isomeric SMILES

InChI

InChI=1S/C77H117N15O26S/c1-11-40(8)62(74(114)87-54(77(117)118)35-57(79)97)90-69(109)50(31-37(2)3)84-66(106)48(23-26-59(100)101)81-72(112)56-13-12-29-92(56)76(116)53(32-38(4)5)86-67(107)47(22-25-58(98)99)80-65(105)49(24-27-60(102)103)82-75(115)63(41(9)94)91-73(113)61(39(6)7)89-70(110)52(34-43-16-20-45(96)21-17-43)85-71(111)55(36-93)88-68(108)51(33-42-14-18-44(95)19-15-42)83-64(104)46(78)28-30-119-10/h14-21,37-41,46-56,61-63,93-96H,11-13,22-36,78H2,1-10H3,(H2,79,97)(H,80,105)(H,81,112)(H,82,115)(H,83,104)(H,84,106)(H,85,111)(H,86,107)(H,87,114)(H,88,108)(H,89,110)(H,90,109)(H,91,113)(H,98,99)(H,100,101)(H,102,103)(H,117,118)

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