4-[(1-azanyl-1-oxidanylidene-2-phenyl-propan-2-yl)amino]-3-(carboxyamino)-4-oxidanylidene-butanoate; phenethylbenzene

Systemtic Name: 4-[(1-azanyl-1-oxidanylidene-2-phenyl-propan-2-yl)amino]-3-(carboxyamino)-4-oxidanylidene-butanoate; phenethylbenzene Openeye Name: 4-[(2-amino-1-methyl-2-oxo-1-phenyl-ethyl)amino]-3-(carboxyamino)-4-oxo-butanoate; phenethylbenzene CAS Name: 4-[(1-amino-1-oxo-2-phenylpropan-2-yl)amino]-3-(carboxyamino)-4-oxobutanoate; phenethylbenzene IUPAC Name: 4-[(1-amino-1-oxo-2-phenylpropan-2-yl)amino]-3-(carboxyamino)-4-oxobutanoate; phenethylbenzene Traditional Name: 4-[(2-amino-2-keto-1-methyl-1-phenyl-ethyl)amino]-3-(carboxyamino)-4-keto-butyrate; phenethylbenzene Formula: C28H30N3O6- MolecularWeight: 504.5543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(=O)N)NC(=O)C(CC(=O)[O-])NC(=O)O.C1=CC=C(C=C1)CCC2=CC=CC=C2

Isomeric SMILES

CC(C1=CC=CC=C1)(C(=O)N)NC(=O)C(CC(=O)[O-])NC(=O)O.C1=CC=C(C=C1)CCC2=CC=CC=C2

InChI

InChI=1S/C14H17N3O6.C14H14/c1-14(12(15)21,8-5-3-2-4-6-8)17-11(20)9(7-10(18)19)16-13(22)23;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h2-6,9,16H,7H2,1H3,(H2,15,21)(H,17,20)(H,18,19)(H,22,23);1-10H,11-12H2/p-1