4-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-oxidanyl-azepane-1-carboxylic acid

Systemtic Name: 4-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-oxidanyl-azepane-1-carboxylic acid Openeye Name: 4-[[2-(tert-butoxycarbonylamino)-3-cyclohexyl-propanoyl]amino]-3-hydroxy-azepane-1-carboxylic acid CAS Name: 4-[[3-cyclohexyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-azepanecarboxylic acid IUPAC Name: 4-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-hydroxyazepane-1-carboxylic acid Traditional Name: 4-[[2-(tert-butoxycarbonylamino)-3-cyclohexyl-propanoyl]amino]-3-hydroxy-azepane-1-carboxylic acid Formula: C21H37N3O6 MolecularWeight: 427.53498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)NC2CCCN(CC2O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)NC2CCCN(CC2O)C(=O)O

InChI

InChI=1S/C21H37N3O6/c1-21(2,3)30-19(27)23-16(12-14-8-5-4-6-9-14)18(26)22-15-10-7-11-24(20(28)29)13-17(15)25/h14-17,25H,4-13H2,1-3H3,(H,22,26)(H,23,27)(H,28,29)