(phenylmethyl) (2S)-2-[[(2S)-5-[[azanyl(nitramido)methylidene]amino]-2-[[(2S)-1-[2-(phenylmethoxycarbonylamino)ethanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-5-[[azanyl(nitramido)methylidene]amino]-2-[[(2S)-1-[2-(phenylmethoxycarbonylamino)ethanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]-3-methyl-butanoate Openeye Name: benzyl (2S)-2-[[(2S)-5-[[amino(nitramido)methylene]amino]-2-[[(2S)-1-[2-(benzyloxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-5-[[amino(nitramido)methylidene]amino]-1-oxo-2-[[oxo-[(2S)-1-[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]-2-pyrrolidinyl]methyl]amino]pentyl]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-5-[[amino(nitramido)methylidene]amino]-2-[[(2S)-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-5-[[amino(nitramido)methylene]amino]-2-[[(2S)-1-[2-(benzyloxycarbonylamino)acetyl]prolyl]amino]pentanoyl]amino]-3-methyl-butyric acid benzyl ester Formula: C33H44N8O9 MolecularWeight: 696.75066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N[N+](=O)[O-])NC(=O)C2CCCN2C(=O)CNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C33H44N8O9/c1-22(2)28(31(45)49-20-23-11-5-3-6-12-23)38-29(43)25(15-9-17-35-32(34)39-41(47)48)37-30(44)26-16-10-18-40(26)27(42)19-36-33(46)50-21-24-13-7-4-8-14-24/h3-8,11-14,22,25-26,28H,9-10,15-21H2,1-2H3,(H,36,46)(H,37,44)(H,38,43)(H3,34,35,39)/t25-,26-,28-/m0/s1