O1-tert-butyl O2-(3-nitrooxypropyl) (2R)-2-[(2S)-6-azanyl-2-[[(2S)-1-(3-nitrooxypropoxy)-1-oxidanylidene-4-phenyl-butan-2-yl]amino]hexanoyl]pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-(3-nitrooxypropyl) (2R)-2-[(2S)-6-azanyl-2-[[(2S)-1-(3-nitrooxypropoxy)-1-oxidanylidene-4-phenyl-butan-2-yl]amino]hexanoyl]pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-(3-nitrooxypropyl) (2R)-2-[(2S)-6-amino-2-[[(1S)-1-(3-nitrooxypropoxycarbonyl)-3-phenyl-propyl]amino]hexanoyl]pyrrolidine-1,2-dicarboxylate CAS Name: (2R)-2-[(2S)-6-amino-2-[[(2S)-1-(3-nitrooxypropoxy)-1-oxo-4-phenylbutan-2-yl]amino]-1-oxohexyl]pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-(3-nitrooxypropyl) ester IUPAC Name: 1-O-tert-butyl 2-O-(3-nitrooxypropyl) (2R)-2-[(2S)-6-amino-2-[[(2S)-1-(3-nitrooxypropoxy)-1-oxo-4-phenylbutan-2-yl]amino]hexanoyl]pyrrolidine-1,2-dicarboxylate Traditional Name: (2R)-2-[(2S)-6-amino-2-[[(1S)-1-(3-nitrooxypropoxycarbonyl)-3-phenyl-propyl]amino]hexanoyl]pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-(3-nitrooxypropyl) ester Formula: C32H49N5O13 MolecularWeight: 711.75716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1(C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)OCCCO[N+](=O)[O-])C(=O)OCCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@]1(C(=O)[C@H](CCCCN)N[C@@H](CCC2=CC=CC=C2)C(=O)OCCCO[N+](=O)[O-])C(=O)OCCCO[N+](=O)[O-]

InChI

InChI=1S/C32H49N5O13/c1-31(2,3)50-30(41)35-19-9-17-32(35,29(40)47-21-11-23-49-37(44)45)27(38)25(14-7-8-18-33)34-26(16-15-24-12-5-4-6-13-24)28(39)46-20-10-22-48-36(42)43/h4-6,12-13,25-26,34H,7-11,14-23,33H2,1-3H3/t25-,26-,32+/m0/s1