2-[(2-azanyl-3-sulfanyl-propanoyl)-[4-[(2-methylphenyl)methyl]piperidin-4-yl]carbonyl-amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propanoyl)-[4-[(2-methylphenyl)methyl]piperidin-4-yl]carbonyl-amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-amino-3-sulfanyl-propanoyl)-[4-(o-tolylmethyl)piperidine-4-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(2-amino-3-mercapto-1-oxopropyl)-[[4-[(2-methylphenyl)methyl]-4-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-amino-3-sulfanylpropanoyl)-[4-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2-amino-3-mercapto-propanoyl)-[4-(2-methylbenzyl)isonipecotoyl]amino]-4-(methylthio)butyric acid Formula: C22H33N3O4S2 MolecularWeight: 467.64512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2(CCNCC2)C(=O)N(C(CCSC)C(=O)O)C(=O)C(CS)N

Isomeric SMILES

CC1=CC=CC=C1CC2(CCNCC2)C(=O)N(C(CCSC)C(=O)O)C(=O)C(CS)N

InChI

InChI=1S/C22H33N3O4S2/c1-15-5-3-4-6-16(15)13-22(8-10-24-11-9-22)21(29)25(19(26)17(23)14-30)18(20(27)28)7-12-31-2/h3-6,17-18,24,30H,7-14,23H2,1-2H3,(H,27,28)