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

Systemtic Name: 4-[[2-[[2-[[2-[[2-[[5-azanyl-2-[[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-5-(carboxymethylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-[[2-[[2-[[2-[[5-amino-2-[[2-[(2,4-diamino-4-oxo-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-5-(carboxymethylamino)-5-oxo-pentanoic acid CAS Name: 4-[[2-[[2-[[2-[[2-[[5-amino-2-[[2-[(2,4-diamino-1,4-dioxobutyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid IUPAC Name: 4-[[2-[[2-[[2-[[2-[[5-amino-2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid Traditional Name: 4-[[2-[[2-[[2-[[2-[[5-amino-2-[[2-[(2,4-diamino-4-keto-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-keto-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-(methylthio)butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-5-(carboxymethylamino)-5-keto-valeric acid Formula: C44H67N11O17S MolecularWeight: 1054.13128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H67N11O17S/c1-20(2)35(43(71)51-25(11-13-32(59)60)38(66)48-19-34(63)64)55-44(72)36(21(3)4)54-40(68)27(14-15-73-5)50-42(70)29(18-33(61)62)53-39(67)26(10-12-30(46)57)49-41(69)28(16-22-6-8-23(56)9-7-22)52-37(65)24(45)17-31(47)58/h6-9,20-21,24-29,35-36,56H,10-19,45H2,1-5H3,(H2,46,57)(H2,47,58)(H,48,66)(H,49,69)(H,50,70)(H,51,71)(H,52,65)(H,53,67)(H,54,68)(H,55,72)(H,59,60)(H,61,62)(H,63,64)