4-azanyl-5-[2-[[3-methyl-2-[(4-nitrophenyl)amino]butanoyl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[2-[[3-methyl-2-[(4-nitrophenyl)amino]butanoyl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[2-[[3-methyl-2-(4-nitroanilino)butanoyl]carbamoyl]pyrrolidin-1-yl]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[2-[[[3-methyl-2-(4-nitroanilino)-1-oxobutyl]amino]-oxomethyl]-1-pyrrolidinyl]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[2-[[3-methyl-2-(4-nitroanilino)butanoyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid Traditional Name: 4-amino-5-keto-5-[2-[[3-methyl-2-(4-nitroanilino)butanoyl]carbamoyl]pyrrolidino]valeric acid Formula: C21H29N5O7 MolecularWeight: 463.48426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)N)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)N)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O7/c1-12(2)18(23-13-5-7-14(8-6-13)26(32)33)20(30)24-19(29)16-4-3-11-25(16)21(31)15(22)9-10-17(27)28/h5-8,12,15-16,18,23H,3-4,9-11,22H2,1-2H3,(H,27,28)(H,24,29,30)