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

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

CC(C(=O)O)NC(=O)C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H23N3O6/c1-14(22(30)31)24-21(29)19(27)17(12-15-8-4-2-5-9-15)25-18(26)13-23-20(28)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,23,28)(H,24,29)(H,25,26)(H,30,31)/t14-,17-/m0/s1