4-[[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[1-[[5-[bis(azanyl)methylideneamino]-1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-pentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[1-[[5-[bis(azanyl)methylideneamino]-1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-pentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[2-[[1-[(1-carboxy-3-methylsulfanyl-propyl)carbamoyl]-4-guanidino-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-5-[[1-[[5-(diaminomethylideneamino)-1-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[[1-[[5-(diaminomethylideneamino)-1-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[2-[[1-[[1-carboxy-3-(methylthio)propyl]carbamoyl]-4-guanidino-butyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C41H68N10O12S MolecularWeight: 925.10342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H68N10O12S/c1-21(2)18-29(49-37(59)30(19-22(3)4)51-39(61)33(42)23(5)52)36(58)47-27(13-14-32(54)55)35(57)50-31(20-24-9-11-25(53)12-10-24)38(60)46-26(8-7-16-45-41(43)44)34(56)48-28(40(62)63)15-17-64-6/h9-12,21-23,26-31,33,52-53H,7-8,13-20,42H2,1-6H3,(H,46,60)(H,47,58)(H,48,56)(H,49,59)(H,50,57)(H,51,61)(H,54,55)(H,62,63)(H4,43,44,45)