2-[[2-[[1-[2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]butanedioic acid

Systemtic Name: 2-[[2-[[1-[2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]butanedioic acid Openeye Name: 2-[[2-[[1-[2-[[2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]butanedioic acid CAS Name: 2-[[2-[[[1-[2-[[2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]butanedioic acid IUPAC Name: 2-[[2-[[1-[2-[[2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]butanedioic acid Traditional Name: 2-[[2-[[1-[2-[[2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-(methylthio)butanoyl]prolyl]amino]-3-methyl-butanoyl]amino]succinic acid Formula: C33H48N6O12S MolecularWeight: 752.83222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H48N6O12S/c1-17(2)27(31(48)37-23(33(50)51)16-26(43)44)38-30(47)24-5-4-13-39(24)32(49)21(12-14-52-3)35-29(46)22(15-18-6-8-19(40)9-7-18)36-28(45)20(34)10-11-25(41)42/h6-9,17,20-24,27,40H,4-5,10-16,34H2,1-3H3,(H,35,46)(H,36,45)(H,37,48)(H,38,47)(H,41,42)(H,43,44)(H,50,51)