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

Systemtic Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-bromophenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-bromobenzoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[[(3-bromophenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-bromobenzoyl)amino]-5-oxopentanoic acid Traditional Name: 5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-bromobenzoyl)amino]-5-keto-valeric acid Formula: C21H28BrN3O4 MolecularWeight: 466.36872

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrN3O4/c22-16-5-3-4-15(14-16)19(28)23-17(6-7-18(26)27)20(29)24-25-12-10-21(11-13-25)8-1-2-9-21/h3-5,14,17H,1-2,6-13H2,(H,23,28)(H,24,29)(H,26,27)