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-pentanoic acid

Systemtic Name: 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-pentanoic acid Openeye Name: 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-pentanoic acid CAS Name: 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-methylpentanoic acid IUPAC Name: 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-methylpentanoic acid Traditional Name: 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-valeric acid Formula: C51H75N9O18S MolecularWeight: 1134.2557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)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(CC1=CC=C(C=C1)O)NC(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCSC)N

Isomeric SMILES

CC(C)CC(C(=O)O)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(CC1=CC=C(C=C1)O)NC(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCSC)N

InChI

InChI=1S/C51H75N9O18S/c1-25(2)21-37(51(77)78)57-45(71)33(15-17-39(65)66)53-44(70)34(16-18-40(67)68)54-50(76)42(27(5)62)60-49(75)41(26(3)4)59-47(73)36(23-29-9-13-31(64)14-10-29)56-48(74)38(24-61)58-46(72)35(22-28-7-11-30(63)12-8-28)55-43(69)32(52)19-20-79-6/h7-14,25-27,32-38,41-42,61-64H,15-24,52H2,1-6H3,(H,53,70)(H,54,76)(H,55,69)(H,56,74)(H,57,71)(H,58,72)(H,59,73)(H,60,75)(H,65,66)(H,67,68)(H,77,78)