5-azanyl-2-[3-azanylpropanoyl-(4-methylpiperidin-2-yl)amino]-N-(4-nitrophenyl)pentanamide

Systemtic Name: 5-azanyl-2-[3-azanylpropanoyl-(4-methylpiperidin-2-yl)amino]-N-(4-nitrophenyl)pentanamide Openeye Name: 5-amino-2-[3-aminopropanoyl-(4-methyl-2-piperidyl)amino]-N-(4-nitrophenyl)pentanamide CAS Name: 5-amino-2-[(3-amino-1-oxopropyl)-(4-methyl-2-piperidinyl)amino]-N-(4-nitrophenyl)pentanamide IUPAC Name: 5-amino-2-[3-aminopropanoyl-(4-methylpiperidin-2-yl)amino]-N-(4-nitrophenyl)pentanamide Traditional Name: 5-amino-2-[3-aminopropanoyl-(4-methyl-2-piperidyl)amino]-N-(4-nitrophenyl)valeramide Formula: C20H32N6O4 MolecularWeight: 420.50588

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCNC(C1)N(C(CCCN)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCN

Isomeric SMILES

CC1CCNC(C1)N(C(CCCN)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCN

InChI

InChI=1S/C20H32N6O4/c1-14-9-12-23-18(13-14)25(19(27)8-11-22)17(3-2-10-21)20(28)24-15-4-6-16(7-5-15)26(29)30/h4-7,14,17-18,23H,2-3,8-13,21-22H2,1H3,(H,24,28)