(phenylmethyl) N-[(2S)-6-(2-cyanoethanoylamino)-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-6-(2-cyanoethanoylamino)-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-5-[(2-cyanoacetyl)amino]-1-(phenylcarbamoyl)pentyl]carbamate CAS Name: N-[(2S)-1-anilino-6-[(2-cyano-1-oxoethyl)amino]-1-oxohexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-anilino-6-[(2-cyanoacetyl)amino]-1-oxohexan-2-yl]carbamate Traditional Name: N-[(1S)-5-[(2-cyanoacetyl)amino]-1-(phenylcarbamoyl)pentyl]carbamic acid benzyl ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCCNC(=O)CC#N)C(=O)NC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCCNC(=O)CC#N)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C23H26N4O4/c24-15-14-21(28)25-16-8-7-13-20(22(29)26-19-11-5-2-6-12-19)27-23(30)31-17-18-9-3-1-4-10-18/h1-6,9-12,20H,7-8,13-14,16-17H2,(H,25,28)(H,26,29)(H,27,30)/t20-/m0/s1