3-[1-[[1-(3-azanyl-3-oxidanylidene-propyl)-4-cyano-2-cyclohexyl-piperidin-4-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]morpholine-4-carboxylic acid

Systemtic Name: 3-[1-[[1-(3-azanyl-3-oxidanylidene-propyl)-4-cyano-2-cyclohexyl-piperidin-4-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]morpholine-4-carboxylic acid Openeye Name: 3-[2-[[1-(3-amino-3-oxo-propyl)-4-cyano-2-cyclohexyl-4-piperidyl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]morpholine-4-carboxylic acid CAS Name: 3-[1-[[1-(3-amino-3-oxopropyl)-4-cyano-2-cyclohexyl-4-piperidinyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-morpholinecarboxylic acid IUPAC Name: 3-[1-[[1-(3-amino-3-oxopropyl)-4-cyano-2-cyclohexylpiperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxylic acid Traditional Name: 3-[2-[[1-(3-amino-3-keto-propyl)-4-cyano-2-cyclohexyl-4-piperidyl]amino]-1-(cyclohexylmethyl)-2-keto-ethyl]morpholine-4-carboxylic acid Formula: C29H47N5O5 MolecularWeight: 545.71398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C2COCCN2C(=O)O)C(=O)NC3(CCN(C(C3)C4CCCCC4)CCC(=O)N)C#N

Isomeric SMILES

C1CCC(CC1)CC(C2COCCN2C(=O)O)C(=O)NC3(CCN(C(C3)C4CCCCC4)CCC(=O)N)C#N

InChI

InChI=1S/C29H47N5O5/c30-20-29(12-14-33(13-11-26(31)35)24(18-29)22-9-5-2-6-10-22)32-27(36)23(17-21-7-3-1-4-8-21)25-19-39-16-15-34(25)28(37)38/h21-25H,1-19H2,(H2,31,35)(H,32,36)(H,37,38)