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

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

CC(C(=O)O)NC(=O)C(=O)C(CC1=CC=CC=C1)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O5/c1-14(21(27)28)22-20(26)19(25)17(12-15-8-4-2-5-9-15)23-18(24)13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,22,26)(H,23,24)(H,27,28)/t14-,17-/m0/s1