(2R)-N-(3-methylbutyl)-2-[(5-nitro-2-oxidanyl-phenyl)methylamino]-3-phenyl-propanamide

Systemtic Name: (2R)-N-(3-methylbutyl)-2-[(5-nitro-2-oxidanyl-phenyl)methylamino]-3-phenyl-propanamide Openeye Name: (2R)-2-[(2-hydroxy-5-nitro-phenyl)methylamino]-N-isopentyl-3-phenyl-propanamide CAS Name: (2R)-2-[(2-hydroxy-5-nitrophenyl)methylamino]-N-(3-methylbutyl)-3-phenylpropanamide IUPAC Name: (2R)-2-[(2-hydroxy-5-nitrophenyl)methylamino]-N-(3-methylbutyl)-3-phenylpropanamide Traditional Name: (2R)-2-[(2-hydroxy-5-nitro-benzyl)amino]-N-isoamyl-3-phenyl-propionamide Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(CC1=CC=CC=C1)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)CCNC(=O)[C@@H](CC1=CC=CC=C1)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C21H27N3O4/c1-15(2)10-11-22-21(26)19(12-16-6-4-3-5-7-16)23-14-17-13-18(24(27)28)8-9-20(17)25/h3-9,13,15,19,23,25H,10-12,14H2,1-2H3,(H,22,26)/t19-/m1/s1