N-methyl-3-(3-methylbutylcarbamoylamino)-3-(4-nitrophenyl)-5-oxidanyl-pentanamide

Systemtic Name: N-methyl-3-(3-methylbutylcarbamoylamino)-3-(4-nitrophenyl)-5-oxidanyl-pentanamide Openeye Name: 5-hydroxy-3-(isopentylcarbamoylamino)-N-methyl-3-(4-nitrophenyl)pentanamide CAS Name: 5-hydroxy-N-methyl-3-[[(3-methylbutylamino)-oxomethyl]amino]-3-(4-nitrophenyl)pentanamide IUPAC Name: 5-hydroxy-N-methyl-3-(3-methylbutylcarbamoylamino)-3-(4-nitrophenyl)pentanamide Traditional Name: 5-hydroxy-3-(isoamylcarbamoylamino)-N-methyl-3-(4-nitrophenyl)valeramide Formula: C18H28N4O5 MolecularWeight: 380.43872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(CCO)(CC(=O)NC)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)NC(CCO)(CC(=O)NC)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O5/c1-13(2)8-10-20-17(25)21-18(9-11-23,12-16(24)19-3)14-4-6-15(7-5-14)22(26)27/h4-7,13,23H,8-12H2,1-3H3,(H,19,24)(H2,20,21,25)