(4-nitrophenyl)methyl (2S)-5-(aminocarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (4-nitrophenyl)methyl (2S)-5-(aminocarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (4-nitrophenyl)methyl (2S)-2-(benzyloxycarbonylamino)-5-ureido-pentanoate CAS Name: (2S)-5-(carbamoylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S)-5-(carbamoylamino)-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-ureido-valeric acid (4-nitrobenzyl) ester Formula: C21H24N4O7 MolecularWeight: 444.43786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCNC(=O)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCNC(=O)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O7/c22-20(27)23-12-4-7-18(24-21(28)32-14-15-5-2-1-3-6-15)19(26)31-13-16-8-10-17(11-9-16)25(29)30/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,24,28)(H3,22,23,27)/t18-/m0/s1