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

Systemtic Name: azanium (3S)-3-azanyl-4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ammonium (3S)-3-amino-4-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: ammonium (3S)-3-amino-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate IUPAC Name: azanium (3S)-3-amino-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate Traditional Name: ammonium (3S)-3-amino-4-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-4-keto-butyrate Formula: C13H20N4O4 MolecularWeight: 296.3223

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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-])N.[NH4+]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@H](CC(=O)[O-])N.[NH4+]

InChI

InChI=1S/C13H17N3O4.H3N/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);1H3/t9-,10-;/m0./s1