(2R)-N-(2-azanylethyl)-1-cyclopropylcarbonyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-1-cyclopropylcarbonyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-1-[cyclopropyl(oxo)methyl]-4-[(4-nitrophenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrobenzyl)-phenethyl-amino]pipecolinamide Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC(CC2C(=O)NCCN)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)N2CCC(C[C@@H]2C(=O)NCCN)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H35N5O4/c28-14-15-29-26(33)25-18-24(13-17-31(25)27(34)22-8-9-22)30(16-12-20-4-2-1-3-5-20)19-21-6-10-23(11-7-21)32(35)36/h1-7,10-11,22,24-25H,8-9,12-19,28H2,(H,29,33)/t24?,25-/m1/s1