4-[[2-[[2-[[2-[(2-acetamido-3-oxidanyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[2-[[2-[[2-[(2-acetamido-3-oxidanyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-[[2-[[2-[(2-acetamido-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[2-[[2-[(2-acetamido-3-hydroxy-1-oxopropyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-5-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-[[2-[[2-[(2-acetamido-3-hydroxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[[2-[[2-[[2-[(2-acetamido-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-(methylthio)butanoyl]amino]-5-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C33H46N8O13S MolecularWeight: 794.82914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CO)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

CC(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CO)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C33H46N8O13S/c1-17(44)36-25(14-42)31(51)39-23(11-18-3-5-20(45)6-4-18)30(50)41-26(15-43)32(52)38-22(9-10-55-2)29(49)37-21(7-8-27(46)47)28(48)40-24(33(53)54)12-19-13-34-16-35-19/h3-6,13,16,21-26,42-43,45H,7-12,14-15H2,1-2H3,(H,34,35)(H,36,44)(H,37,49)(H,38,52)(H,39,51)(H,40,48)(H,41,50)(H,46,47)(H,53,54)