5-azanyl-2-[[2-[[2-[[2-[[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[2-[[2-[[2-[[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-4-methyl-1-oxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-4-methyl-pentanoyl]amino]-4-(methylthio)butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-keto-valeric acid Formula: C38H58N8O15S MolecularWeight: 898.97672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(C(C)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(C(C)O)N

InChI

InChI=1S/C38H58N8O15S/c1-18(2)15-25(46-37(59)31(40)19(3)47)34(56)42-23(13-14-62-4)33(55)41-22(10-12-29(50)51)32(54)45-27(17-30(52)53)36(58)44-26(16-20-5-7-21(48)8-6-20)35(57)43-24(38(60)61)9-11-28(39)49/h5-8,18-19,22-27,31,47-48H,9-17,40H2,1-4H3,(H2,39,49)(H,41,55)(H,42,56)(H,43,57)(H,44,58)(H,45,54)(H,46,59)(H,50,51)(H,52,53)(H,60,61)