4-[[2-[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-5-[[2-(carboxymethylamino)-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[2-[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-5-[[2-(carboxymethylamino)-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-5-[[2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[2-[[2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-5-[[2-(carboxymethylamino)-2-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-5-[[2-(carboxymethylamino)-2-oxoethyl]amino]-5-oxopentanoic acid Traditional Name: 4-[[2-[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-4-hydroxy-4-keto-butanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-5-[[2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C29H41N7O13 MolecularWeight: 695.67494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H41N7O13/c1-14(33-27(47)19(11-22(41)42)36-29(49)24(30)15(2)37)25(45)35-18(10-16-6-4-3-5-7-16)28(48)34-17(8-9-21(39)40)26(46)32-12-20(38)31-13-23(43)44/h3-7,14-15,17-19,24,37H,8-13,30H2,1-2H3,(H,31,38)(H,32,46)(H,33,47)(H,34,48)(H,35,45)(H,36,49)(H,39,40)(H,41,42)(H,43,44)