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

Systemtic Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-cyanophenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-cyanobenzoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[[(3-cyanophenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-cyanobenzoyl)amino]-5-oxopentanoic acid Traditional Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-cyanobenzoyl)amino]-5-keto-valeric acid Formula: C22H28N4O4 MolecularWeight: 412.48212

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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)C#N

Isomeric SMILES

C1CCC2(C1)CCN(CC2)NC(=O)C(CCC(=O)O)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H28N4O4/c23-15-16-4-3-5-17(14-16)20(29)24-18(6-7-19(27)28)21(30)25-26-12-10-22(11-13-26)8-1-2-9-22/h3-5,14,18H,1-2,6-13H2,(H,24,29)(H,25,30)(H,27,28)