5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-nitrophenyl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-nitrophenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-nitrobenzoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[[(3-nitrophenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-nitrobenzoyl)amino]-5-oxopentanoic acid Traditional Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-5-keto-4-[(3-nitrobenzoyl)amino]valeric acid Formula: C21H28N4O6 MolecularWeight: 432.47022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CCN(CC2)NC(=O)C(CCC(=O)O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2(C1)CCN(CC2)NC(=O)C(CCC(=O)O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O6/c26-18(27)7-6-17(22-19(28)15-4-3-5-16(14-15)25(30)31)20(29)23-24-12-10-21(11-13-24)8-1-2-9-21/h3-5,14,17H,1-2,6-13H2,(H,22,28)(H,23,29)(H,26,27)