3-[(2-acetamido-3-phenyl-propanoyl)amino]-4-[(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(2-acetamido-3-phenyl-propanoyl)amino]-4-[(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(2-acetamido-3-phenyl-propanoyl)amino]-4-[(1-carbamoyl-3-methyl-butyl)amino]-4-oxo-butanoic acid CAS Name: 3-[(2-acetamido-1-oxo-3-phenylpropyl)amino]-4-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[(2-acetamido-3-phenylpropanoyl)amino]-4-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[(2-acetamido-3-phenyl-propanoyl)amino]-4-[(1-carbamoyl-3-methyl-butyl)amino]-4-keto-butyric acid Formula: C21H30N4O6 MolecularWeight: 434.4861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O6/c1-12(2)9-15(19(22)29)24-21(31)17(11-18(27)28)25-20(30)16(23-13(3)26)10-14-7-5-4-6-8-14/h4-8,12,15-17H,9-11H2,1-3H3,(H2,22,29)(H,23,26)(H,24,31)(H,25,30)(H,27,28)