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

Systemtic Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-methylphenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-methylbenzoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[[(3-methylphenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-methylbenzoyl)amino]-5-oxopentanoic acid Traditional Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-5-keto-4-(m-toluoylamino)valeric acid Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCC(=O)O)C(=O)NN2CCC3(CCCC3)CC2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(CCC(=O)O)C(=O)NN2CCC3(CCCC3)CC2

InChI

InChI=1S/C22H31N3O4/c1-16-5-4-6-17(15-16)20(28)23-18(7-8-19(26)27)21(29)24-25-13-11-22(12-14-25)9-2-3-10-22/h4-6,15,18H,2-3,7-14H2,1H3,(H,23,28)(H,24,29)(H,26,27)