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

Systemtic Name: 3-[[(3S)-3-(2-benzamidoethanoylamino)-2-oxidanylidene-butanoyl]amino]propanoic acid Openeye Name: 3-[[(3S)-3-[(2-benzamidoacetyl)amino]-2-oxo-butanoyl]amino]propanoic acid CAS Name: 3-[[(3S)-3-[(2-benzamido-1-oxoethyl)amino]-1,2-dioxobutyl]amino]propanoic acid IUPAC Name: 3-[[(3S)-3-[(2-benzamidoacetyl)amino]-2-oxobutanoyl]amino]propanoic acid Traditional Name: 3-[[(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)NCCC(=O)O)NC(=O)CNC(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O6/c1-10(14(23)16(25)17-8-7-13(21)22)19-12(20)9-18-15(24)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,17,25)(H,18,24)(H,19,20)(H,21,22)/t10-/m0/s1