3-[[2-[[cyclohexyl(3-methylbutyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[2-[[cyclohexyl(3-methylbutyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]propanoic acid Openeye Name: 3-[2-[[cyclohexyl(isopentyl)carbamoyl]amino]thiazol-5-yl]sulfanylpropanoic acid CAS Name: 3-[[2-[[[cyclohexyl(3-methylbutyl)amino]-oxomethyl]amino]-5-thiazolyl]thio]propanoic acid IUPAC Name: 3-[[2-[[cyclohexyl(3-methylbutyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]propanoic acid Traditional Name: 3-[[2-[[cyclohexyl(isoamyl)carbamoyl]amino]thiazol-5-yl]thio]propionic acid Formula: C18H29N3O3S2 MolecularWeight: 399.57116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1CCCCC1)C(=O)NC2=NC=C(S2)SCCC(=O)O

Isomeric SMILES

CC(C)CCN(C1CCCCC1)C(=O)NC2=NC=C(S2)SCCC(=O)O

InChI

InChI=1S/C18H29N3O3S2/c1-13(2)8-10-21(14-6-4-3-5-7-14)18(24)20-17-19-12-16(26-17)25-11-9-15(22)23/h12-14H,3-11H2,1-2H3,(H,22,23)(H,19,20,24)