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

Systemtic Name: 2-[[2-[[2-[[2-[[2-[[2-[[4-azanyl-2-[(2-azanyl-4-methyl-pentanoyl)amino]-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[(2-amino-4-methyl-pentanoyl)amino]-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[(2-amino-4-methyl-1-oxopentyl)amino]-1,4-dioxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[(2-amino-4-methylpentanoyl)amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[(2-amino-4-methyl-pentanoyl)amino]-4-keto-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-4-methyl-valeric acid Formula: C47H65N9O17 MolecularWeight: 1028.0691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H65N9O17/c1-23(2)16-28(48)40(65)51-32(20-36(49)58)44(69)53-31(19-26-10-12-27(57)13-11-26)42(67)52-30(18-25-8-6-5-7-9-25)43(68)54-34(22-39(63)64)46(71)55-33(21-38(61)62)45(70)50-29(14-15-37(59)60)41(66)56-35(47(72)73)17-24(3)4/h5-13,23-24,28-35,57H,14-22,48H2,1-4H3,(H2,49,58)(H,50,70)(H,51,65)(H,52,67)(H,53,69)(H,54,68)(H,55,71)(H,56,66)(H,59,60)(H,61,62)(H,63,64)(H,72,73)