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

Systemtic Name: 3-[[(3S)-2-oxidanylidene-4-phenyl-3-(2-phenylethanoylamino)butanoyl]amino]propanoic acid Openeye Name: 3-[[(3S)-2-oxo-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid CAS Name: 3-[[(3S)-1,2-dioxo-3-[(1-oxo-2-phenylethyl)amino]-4-phenylbutyl]amino]propanoic acid IUPAC Name: 3-[[(3S)-2-oxo-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid Traditional Name: 3-[[(3S)-2-keto-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]propionic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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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)CC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)C(=O)NCCC(=O)O)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O5/c24-18(14-16-9-5-2-6-10-16)23-17(13-15-7-3-1-4-8-15)20(27)21(28)22-12-11-19(25)26/h1-10,17H,11-14H2,(H,22,28)(H,23,24)(H,25,26)/t17-/m0/s1