ethyl (2S)-2-[[(2S)-1-oxidanylidene-3-phenyl-1-(pyridin-4-ylamino)propan-2-yl]carbamoylamino]-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-[[(2S)-1-oxidanylidene-3-phenyl-1-(pyridin-4-ylamino)propan-2-yl]carbamoylamino]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[[(1S)-1-benzyl-2-oxo-2-(4-pyridylamino)ethyl]carbamoylamino]-2-phenyl-acetate CAS Name: (2S)-2-[[oxo-[[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylamino)propan-2-yl]amino]methyl]amino]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylamino)propan-2-yl]carbamoylamino]-2-phenylacetate Traditional Name: (2S)-2-[[(1S)-1-benzyl-2-keto-2-(4-pyridylamino)ethyl]carbamoylamino]-2-phenyl-acetic acid ethyl ester Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)NC(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC=NC=C3

InChI

InChI=1S/C25H26N4O4/c1-2-33-24(31)22(19-11-7-4-8-12-19)29-25(32)28-21(17-18-9-5-3-6-10-18)23(30)27-20-13-15-26-16-14-20/h3-16,21-22H,2,17H2,1H3,(H,26,27,30)(H2,28,29,32)/t21-,22-/m0/s1