3-[[(3S)-3-(2-benzamidoethanoylamino)-2-oxidanylidene-4-phenyl-butanoyl]amino]propanoic acid

Systemtic Name: 3-[[(3S)-3-(2-benzamidoethanoylamino)-2-oxidanylidene-4-phenyl-butanoyl]amino]propanoic acid Openeye Name: 3-[[(3S)-3-[(2-benzamidoacetyl)amino]-2-oxo-4-phenyl-butanoyl]amino]propanoic acid CAS Name: 3-[[(3S)-3-[(2-benzamido-1-oxoethyl)amino]-1,2-dioxo-4-phenylbutyl]amino]propanoic acid IUPAC Name: 3-[[(3S)-3-[(2-benzamidoacetyl)amino]-2-oxo-4-phenylbutanoyl]amino]propanoic acid Traditional Name: 3-[[(3S)-3-(hippuroylamino)-2-keto-4-phenyl-butanoyl]amino]propionic acid Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C(=O)NCCC(=O)O)NC(=O)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)C(=O)NCCC(=O)O)NC(=O)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H23N3O6/c26-18(14-24-21(30)16-9-5-2-6-10-16)25-17(13-15-7-3-1-4-8-15)20(29)22(31)23-12-11-19(27)28/h1-10,17H,11-14H2,(H,23,31)(H,24,30)(H,25,26)(H,27,28)/t17-/m0/s1