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

Systemtic Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-ethylphenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-ethylbenzoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[[(3-ethylphenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-ethylbenzoyl)amino]-5-oxopentanoic acid Traditional Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-ethylbenzoyl)amino]-5-keto-valeric acid Formula: C23H33N3O4 MolecularWeight: 415.52582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C(=O)NC(CCC(=O)O)C(=O)NN2CCC3(CCCC3)CC2

Isomeric SMILES

CCC1=CC=CC(=C1)C(=O)NC(CCC(=O)O)C(=O)NN2CCC3(CCCC3)CC2

InChI

InChI=1S/C23H33N3O4/c1-2-17-6-5-7-18(16-17)21(29)24-19(8-9-20(27)28)22(30)25-26-14-12-23(13-15-26)10-3-4-11-23/h5-7,16,19H,2-4,8-15H2,1H3,(H,24,29)(H,25,30)(H,27,28)