3-[[3-cyclohexyl-1-(3-phenylpropylamino)-1-sulfanylidene-propan-2-yl]carbamoyl]-5-methyl-hexanoic acid

Systemtic Name: 3-[[3-cyclohexyl-1-(3-phenylpropylamino)-1-sulfanylidene-propan-2-yl]carbamoyl]-5-methyl-hexanoic acid Openeye Name: 3-[[1-(cyclohexylmethyl)-2-(3-phenylpropylamino)-2-thioxo-ethyl]carbamoyl]-5-methyl-hexanoic acid CAS Name: 3-[[[3-cyclohexyl-1-(3-phenylpropylamino)-1-sulfanylidenepropan-2-yl]amino]-oxomethyl]-5-methylhexanoic acid IUPAC Name: 3-[[3-cyclohexyl-1-(3-phenylpropylamino)-1-sulfanylidenepropan-2-yl]carbamoyl]-5-methylhexanoic acid Traditional Name: 3-[[1-(cyclohexylmethyl)-2-(3-phenylpropylamino)-2-thioxo-ethyl]carbamoyl]-5-methyl-hexanoic acid Formula: C26H40N2O3S MolecularWeight: 460.6724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)O)C(=O)NC(CC1CCCCC1)C(=S)NCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(CC(=O)O)C(=O)NC(CC1CCCCC1)C(=S)NCCCC2=CC=CC=C2

InChI

InChI=1S/C26H40N2O3S/c1-19(2)16-22(18-24(29)30)25(31)28-23(17-21-12-7-4-8-13-21)26(32)27-15-9-14-20-10-5-3-6-11-20/h3,5-6,10-11,19,21-23H,4,7-9,12-18H2,1-2H3,(H,27,32)(H,28,31)(H,29,30)