methyl 4-azanyl-3-methyl-2-[5-(3-nitrophenyl)pentanoylamino]-3-oxidanyl-pentanoate

Systemtic Name: methyl 4-azanyl-3-methyl-2-[5-(3-nitrophenyl)pentanoylamino]-3-oxidanyl-pentanoate Openeye Name: methyl 4-amino-3-hydroxy-3-methyl-2-[5-(3-nitrophenyl)pentanoylamino]pentanoate CAS Name: 4-amino-3-hydroxy-3-methyl-2-[[5-(3-nitrophenyl)-1-oxopentyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-amino-3-hydroxy-3-methyl-2-[5-(3-nitrophenyl)pentanoylamino]pentanoate Traditional Name: 4-amino-3-hydroxy-3-methyl-2-[5-(3-nitrophenyl)pentanoylamino]valeric acid methyl ester Formula: C18H27N3O6 MolecularWeight: 381.42348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C(C(=O)OC)NC(=O)CCCCC1=CC(=CC=C1)[N+](=O)[O-])O)N

Isomeric SMILES

CC(C(C)(C(C(=O)OC)NC(=O)CCCCC1=CC(=CC=C1)[N+](=O)[O-])O)N

InChI

InChI=1S/C18H27N3O6/c1-12(19)18(2,24)16(17(23)27-3)20-15(22)10-5-4-7-13-8-6-9-14(11-13)21(25)26/h6,8-9,11-12,16,24H,4-5,7,10,19H2,1-3H3,(H,20,22)