2-[2-(2-azanylpropanoylamino)propanoylamino]-3-methyl-N-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]butanamide

Systemtic Name: 2-[2-(2-azanylpropanoylamino)propanoylamino]-3-methyl-N-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]butanamide Openeye Name: 2-[2-(2-aminopropanoylamino)propanoylamino]-3-methyl-N-[1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]butanamide CAS Name: 2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-3-methyl-N-[1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide IUPAC Name: 2-[2-(2-aminopropanoylamino)propanoylamino]-3-methyl-N-[1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide Traditional Name: 2-[2-(alanylamino)propanoylamino]-N-[2-keto-1-methyl-2-(4-nitroanilino)ethyl]-3-methyl-butyramide Formula: C20H30N6O6 MolecularWeight: 450.4888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(C)NC(=O)C(C)N

Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(C)NC(=O)C(C)N

InChI

InChI=1S/C20H30N6O6/c1-10(2)16(25-19(29)13(5)22-17(27)11(3)21)20(30)23-12(4)18(28)24-14-6-8-15(9-7-14)26(31)32/h6-13,16H,21H2,1-5H3,(H,22,27)(H,23,30)(H,24,28)(H,25,29)