2-azanyl-2-[4-[carboxy(piperidin-3-yl)amino]-2-phenyl-phenyl]carbonyl-4-methylsulfanyl-butanoic acid hydrochloride

Systemtic Name: 2-azanyl-2-[4-[carboxy(piperidin-3-yl)amino]-2-phenyl-phenyl]carbonyl-4-methylsulfanyl-butanoic acid hydrochloride Openeye Name: 2-amino-2-[4-[carboxy(3-piperidyl)amino]-2-phenyl-benzoyl]-4-methylsulfanyl-butanoic acid hydrochloride CAS Name: 2-amino-2-[[4-[carboxy(3-piperidinyl)amino]-2-phenylphenyl]-oxomethyl]-4-(methylthio)butanoic acid hydrochloride IUPAC Name: 2-amino-2-[4-[carboxy(piperidin-3-yl)amino]-2-phenylbenzoyl]-4-methylsulfanylbutanoic acid hydrochloride Traditional Name: 2-amino-2-[4-[carboxy(3-piperidyl)amino]-2-phenyl-benzoyl]-4-(methylthio)butyric acid hydrochloride Formula: C24H30ClN3O5S MolecularWeight: 508.0301

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=C(C=C(C=C1)N(C2CCCNC2)C(=O)O)C3=CC=CC=C3)(C(=O)O)N.Cl

Isomeric SMILES

CSCCC(C(=O)C1=C(C=C(C=C1)N(C2CCCNC2)C(=O)O)C3=CC=CC=C3)(C(=O)O)N.Cl

InChI

InChI=1S/C24H29N3O5S.ClH/c1-33-13-11-24(25,22(29)30)21(28)19-10-9-17(14-20(19)16-6-3-2-4-7-16)27(23(31)32)18-8-5-12-26-15-18;/h2-4,6-7,9-10,14,18,26H,5,8,11-13,15,25H2,1H3,(H,29,30)(H,31,32);1H