(2S)-2-[[(3S)-3-(2-benzamidoethanoylamino)-2-oxidanylidene-butanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(3S)-3-(2-benzamidoethanoylamino)-2-oxidanylidene-butanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(3S)-3-[(2-benzamidoacetyl)amino]-2-oxo-butanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(3S)-3-[(2-benzamido-1-oxoethyl)amino]-1,2-dioxobutyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(3S)-3-[(2-benzamidoacetyl)amino]-2-oxobutanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(3S)-3-(hippuroylamino)-2-keto-butanoyl]amino]propionic acid Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=O)NC(C)C(=O)O)NC(=O)CNC(=O)C1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)C(=O)N[C@@H](C)C(=O)O)NC(=O)CNC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H19N3O6/c1-9(13(21)15(23)19-10(2)16(24)25)18-12(20)8-17-14(22)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,22)(H,18,20)(H,19,23)(H,24,25)/t9-,10-/m0/s1