prop-2-enyl 4-[(2-azanyl-3-cyclohexyl-3-oxidanyl-propanoyl)-but-2-ynyl-amino]-4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate

Systemtic Name: prop-2-enyl 4-[(2-azanyl-3-cyclohexyl-3-oxidanyl-propanoyl)-but-2-ynyl-amino]-4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate Openeye Name: allyl 4-[(2-amino-3-cyclohexyl-3-hydroxy-propanoyl)-but-2-ynyl-amino]-4-(2-morpholinoethylcarbamoyl)piperidine-1-carboxylate CAS Name: 4-[(2-amino-3-cyclohexyl-3-hydroxy-1-oxopropyl)-but-2-ynylamino]-4-[[2-(4-morpholinyl)ethylamino]-oxomethyl]-1-piperidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[(2-amino-3-cyclohexyl-3-hydroxypropanoyl)-but-2-ynylamino]-4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate Traditional Name: 4-[(2-amino-3-cyclohexyl-3-hydroxy-propanoyl)-but-2-ynyl-amino]-4-(2-morpholinoethylcarbamoyl)piperidine-1-carboxylic acid allyl ester Formula: C29H47N5O6 MolecularWeight: 561.71338

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN(C(=O)C(C(C1CCCCC1)O)N)C2(CCN(CC2)C(=O)OCC=C)C(=O)NCCN3CCOCC3

Isomeric SMILES

CC#CCN(C(=O)C(C(C1CCCCC1)O)N)C2(CCN(CC2)C(=O)OCC=C)C(=O)NCCN3CCOCC3

InChI

InChI=1S/C29H47N5O6/c1-3-5-14-34(26(36)24(30)25(35)23-9-7-6-8-10-23)29(11-15-33(16-12-29)28(38)40-20-4-2)27(37)31-13-17-32-18-21-39-22-19-32/h4,23-25,35H,2,6-22,30H2,1H3,(H,31,37)