(3S)-3-azaniumyl-4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (3S)-3-azaniumyl-4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: (3S)-4-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-3-azaniumyl-4-oxo-butanoate CAS Name: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-ammonio-4-oxobutanoate IUPAC Name: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-azaniumyl-4-oxobutanoate Traditional Name: (3S)-4-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-3-ammonio-4-keto-butyrate Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C13H17N3O4/c14-9(7-11(17)18)13(20)16-10(12(15)19)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H2,15,19)(H,16,20)(H,17,18)/t9-,10-/m0/s1