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

Systemtic Name: methyl 2-[(2-azanyl-3-sulfanyl-propanoyl)-[4-[(2-methylphenyl)methyl]piperidin-4-yl]carbonyl-amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(2-amino-3-sulfanyl-propanoyl)-[4-(o-tolylmethyl)piperidine-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[(2-amino-3-mercapto-1-oxopropyl)-[[4-[(2-methylphenyl)methyl]-4-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(2-amino-3-sulfanylpropanoyl)-[4-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-amino-3-mercapto-propanoyl)-[4-(2-methylbenzyl)isonipecotoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C23H35N3O4S2 MolecularWeight: 481.6717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O4S2/c1-16-6-4-5-7-17(16)14-23(9-11-25-12-10-23)22(29)26(20(27)18(24)15-31)19(8-13-32-3)21(28)30-2/h4-7,18-19,25,31H,8-15,24H2,1-3H3