(phenylmethyl) N-[(2S)-6-[2-(4-nitrophenyl)ethanoylamino]-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-6-[2-(4-nitrophenyl)ethanoylamino]-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-5-[[2-(4-nitrophenyl)acetyl]amino]-1-(phenylcarbamoyl)pentyl]carbamate CAS Name: N-[(2S)-1-anilino-6-[[2-(4-nitrophenyl)-1-oxoethyl]amino]-1-oxohexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-anilino-6-[[2-(4-nitrophenyl)acetyl]amino]-1-oxohexan-2-yl]carbamate Traditional Name: N-[(1S)-5-[[2-(4-nitrophenyl)acetyl]amino]-1-(phenylcarbamoyl)pentyl]carbamic acid benzyl ester Formula: C28H30N4O6 MolecularWeight: 518.561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCCNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCCNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C28H30N4O6/c33-26(19-21-14-16-24(17-15-21)32(36)37)29-18-8-7-13-25(27(34)30-23-11-5-2-6-12-23)31-28(35)38-20-22-9-3-1-4-10-22/h1-6,9-12,14-17,25H,7-8,13,18-20H2,(H,29,33)(H,30,34)(H,31,35)/t25-/m0/s1