2-[[(4R)-5-(3-azaspiro[4.5]decan-3-yl)-4-[[3,5-bis(chloranyl)phenyl]carbonylamino]-5-oxidanylidene-pentanoyl]-methyl-amino]benzoic acid

Systemtic Name: 2-[[(4R)-5-(3-azaspiro[4.5]decan-3-yl)-4-[[3,5-bis(chloranyl)phenyl]carbonylamino]-5-oxidanylidene-pentanoyl]-methyl-amino]benzoic acid Openeye Name: 2-[[(4R)-5-(3-azaspiro[4.5]decan-3-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-oxo-pentanoyl]-methyl-amino]benzoic acid CAS Name: 2-[[(4R)-5-(3-azaspiro[4.5]decan-3-yl)-4-[[(3,5-dichlorophenyl)-oxomethyl]amino]-1,5-dioxopentyl]-methylamino]benzoic acid IUPAC Name: 2-[[(4R)-5-(3-azaspiro[4.5]decan-3-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-oxopentanoyl]-methylamino]benzoic acid Traditional Name: 2-[[(4R)-5-(3-azaspiro[4.5]decan-3-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-keto-pentanoyl]-methyl-amino]benzoic acid Formula: C29H33Cl2N3O5 MolecularWeight: 574.49542

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)O)C(=O)CCC(C(=O)N2CCC3(C2)CCCCC3)NC(=O)C4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)O)C(=O)CC[C@H](C(=O)N2CCC3(C2)CCCCC3)NC(=O)C4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C29H33Cl2N3O5/c1-33(24-8-4-3-7-22(24)28(38)39)25(35)10-9-23(32-26(36)19-15-20(30)17-21(31)16-19)27(37)34-14-13-29(18-34)11-5-2-6-12-29/h3-4,7-8,15-17,23H,2,5-6,9-14,18H2,1H3,(H,32,36)(H,38,39)/t23-/m1/s1