2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[[4-hydroxy-4-keto-2-(phenylalanylamino)butanoyl]amino]acetyl]amino]-3-methyl-butyric acid Formula: C20H28N4O7 MolecularWeight: 436.45892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=CC=C1)N

InChI

InChI=1S/C20H28N4O7/c1-11(2)17(20(30)31)24-15(25)10-22-19(29)14(9-16(26)27)23-18(28)13(21)8-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10,21H2,1-2H3,(H,22,29)(H,23,28)(H,24,25)(H,26,27)(H,30,31)