methyl 2-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxyethanoyl-(phenylmethyl)amino]-3-sulfanyl-propanoate

Systemtic Name: methyl 2-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxyethanoyl-(phenylmethyl)amino]-3-sulfanyl-propanoate Openeye Name: methyl 2-[benzyl-[2-(2-isopropyl-5-methyl-cyclohexoxy)acetyl]amino]-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-oxoethyl]-(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 2-[benzyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]-3-sulfanylpropanoate Traditional Name: 2-[benzyl-[2-(2-isopropyl-5-methyl-cyclohexoxy)acetyl]amino]-3-mercapto-propionic acid methyl ester Formula: C23H35NO4S MolecularWeight: 421.5933

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC(=O)N(CC2=CC=CC=C2)C(CS)C(=O)OC)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OCC(=O)N(CC2=CC=CC=C2)C(CS)C(=O)OC)C(C)C

InChI

InChI=1S/C23H35NO4S/c1-16(2)19-11-10-17(3)12-21(19)28-14-22(25)24(20(15-29)23(26)27-4)13-18-8-6-5-7-9-18/h5-9,16-17,19-21,29H,10-15H2,1-4H3