(phenylmethyl) (2S)-1-[(2S)-5-[[azanyl(nitramido)methylidene]amino]-2-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(2S)-5-[[azanyl(nitramido)methylidene]amino]-2-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2S)-5-[[amino(nitramido)methylene]amino]-2-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-5-[[amino(nitramido)methylidene]amino]-2-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-1-oxopentyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-5-[[amino(nitramido)methylene]amino]-2-(p-anisyloxycarbonylamino)pentanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C27H34N6O8 MolecularWeight: 570.59426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)NC(CCCN=C(N)N[N+](=O)[O-])C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)N[C@@H](CCCN=C(N)N[N+](=O)[O-])C(=O)N2CCC[C@H]2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H34N6O8/c1-39-21-13-11-20(12-14-21)18-41-27(36)30-22(9-5-15-29-26(28)31-33(37)38)24(34)32-16-6-10-23(32)25(35)40-17-19-7-3-2-4-8-19/h2-4,7-8,11-14,22-23H,5-6,9-10,15-18H2,1H3,(H,30,36)(H3,28,29,31)/t22-,23-/m0/s1