2-[[2,6-bis(chloranyl)phenyl]methylamino]-3-[(2-methyl-1-oxidanylidene-10-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)carbonylamino]propanoic acid

Systemtic Name: 2-[[2,6-bis(chloranyl)phenyl]methylamino]-3-[(2-methyl-1-oxidanylidene-10-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)carbonylamino]propanoic acid Openeye Name: 2-[(2,6-dichlorophenyl)methylamino]-3-[(2-methyl-1-oxo-10-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbonyl)amino]propanoic acid CAS Name: 2-[(2,6-dichlorophenyl)methylamino]-3-[[(2-methyl-1-oxo-10-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(2,6-dichlorophenyl)methylamino]-3-[(2-methyl-1-oxo-10-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbonyl)amino]propanoic acid Traditional Name: 2-[(2,6-dichlorobenzyl)amino]-3-[(1-keto-2-methyl-10-phenyl-2,4,8-triazaspiro[4.5]decane-8-carbonyl)amino]propionic acid Formula: C25H29Cl2N5O4 MolecularWeight: 534.43486

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Descriptors Computed from Structure

Canonical SMILES:

CN1CNC2(C1=O)CCN(CC2C3=CC=CC=C3)C(=O)NCC(C(=O)O)NCC4=C(C=CC=C4Cl)Cl

Isomeric SMILES

CN1CNC2(C1=O)CCN(CC2C3=CC=CC=C3)C(=O)NCC(C(=O)O)NCC4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C25H29Cl2N5O4/c1-31-15-30-25(23(31)35)10-11-32(14-18(25)16-6-3-2-4-7-16)24(36)29-13-21(22(33)34)28-12-17-19(26)8-5-9-20(17)27/h2-9,18,21,28,30H,10-15H2,1H3,(H,29,36)(H,33,34)