2-[2-[2-(cyclohexylcarbonylamino)-1,3-thiazol-4-yl]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[2-(cyclohexylcarbonylamino)-1,3-thiazol-4-yl]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[2-(cyclohexanecarbonylamino)thiazol-4-yl]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[2-[[cyclohexyl(oxo)methyl]amino]-4-thiazolyl]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[2-(cyclohexanecarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[2-(cyclohexanecarbonylamino)thiazol-4-yl]acetyl]amino]-3-phenyl-propionic acid Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NC(=CS2)CC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NC(=CS2)CC(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H25N3O4S/c25-18(23-17(20(27)28)11-14-7-3-1-4-8-14)12-16-13-29-21(22-16)24-19(26)15-9-5-2-6-10-15/h1,3-4,7-8,13,15,17H,2,5-6,9-12H2,(H,23,25)(H,27,28)(H,22,24,26)