4-[[3-(5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[3-(5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[3-(5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-yl)piperidine-1-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[oxo-[3-(5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-yl)-1-piperidinyl]methyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[3-(5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[3-(5,6,7,8-tetrahydro-4H-thiazol[4,5-d]azepin-2-yl)piperidine-1-carbonyl]amino]cyclohexanecarboxylic acid Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2CCC(CC2)C(=O)O)C3=NC4=C(S3)CCNCC4

Isomeric SMILES

C1CC(CN(C1)C(=O)NC2CCC(CC2)C(=O)O)C3=NC4=C(S3)CCNCC4

InChI

InChI=1S/C20H30N4O3S/c25-19(26)13-3-5-15(6-4-13)22-20(27)24-11-1-2-14(12-24)18-23-16-7-9-21-10-8-17(16)28-18/h13-15,21H,1-12H2,(H,22,27)(H,25,26)