3-[[2-[[(4-methylcyclohexyl)-phenethyl-carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[2-[[(4-methylcyclohexyl)-phenethyl-carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]propanoic acid Openeye Name: 3-[2-[[(4-methylcyclohexyl)-phenethyl-carbamoyl]amino]thiazol-5-yl]sulfanylpropanoic acid CAS Name: 3-[[2-[[[(4-methylcyclohexyl)-phenethylamino]-oxomethyl]amino]-5-thiazolyl]thio]propanoic acid IUPAC Name: 3-[[2-[[(4-methylcyclohexyl)-phenethylcarbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]propanoic acid Traditional Name: 3-[[2-[[(4-methylcyclohexyl)-phenethyl-carbamoyl]amino]thiazol-5-yl]thio]propionic acid Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(CCC2=CC=CC=C2)C(=O)NC3=NC=C(S3)SCCC(=O)O

Isomeric SMILES

CC1CCC(CC1)N(CCC2=CC=CC=C2)C(=O)NC3=NC=C(S3)SCCC(=O)O

InChI

InChI=1S/C22H29N3O3S2/c1-16-7-9-18(10-8-16)25(13-11-17-5-3-2-4-6-17)22(28)24-21-23-15-20(30-21)29-14-12-19(26)27/h2-6,15-16,18H,7-14H2,1H3,(H,26,27)(H,23,24,28)