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

Systemtic Name: 2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]propanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]propanoylamino]-3-methylbutanoic acid Traditional Name: 2-[2-[[4-hydroxy-4-keto-2-(phenylalanylamino)butanoyl]amino]propanoylamino]-3-methyl-butyric acid Formula: C21H30N4O7 MolecularWeight: 450.4855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O7/c1-11(2)17(21(31)32)25-18(28)12(3)23-20(30)15(10-16(26)27)24-19(29)14(22)9-13-7-5-4-6-8-13/h4-8,11-12,14-15,17H,9-10,22H2,1-3H3,(H,23,30)(H,24,29)(H,25,28)(H,26,27)(H,31,32)