4-cyano-4-[[3-cyclohexyl-2-[[(ethoxycarbonylamino)-morpholin-4-yl-methylidene]amino]propanoyl]amino]piperidine-1-carboxylic acid

Systemtic Name: 4-cyano-4-[[3-cyclohexyl-2-[[(ethoxycarbonylamino)-morpholin-4-yl-methylidene]amino]propanoyl]amino]piperidine-1-carboxylic acid Openeye Name: 4-cyano-4-[[3-cyclohexyl-2-[[(ethoxycarbonylamino)-morpholino-methylene]amino]propanoyl]amino]piperidine-1-carboxylic acid CAS Name: 4-cyano-4-[[3-cyclohexyl-2-[[(ethoxycarbonylamino)-(4-morpholinyl)methylidene]amino]-1-oxopropyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 4-cyano-4-[[3-cyclohexyl-2-[[(ethoxycarbonylamino)-morpholin-4-ylmethylidene]amino]propanoyl]amino]piperidine-1-carboxylic acid Traditional Name: 4-[[2-[[(carbethoxyamino)-morpholino-methylene]amino]-3-cyclohexyl-propanoyl]amino]-4-cyano-piperidine-1-carboxylic acid Formula: C24H38N6O6 MolecularWeight: 506.59512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=NC(CC1CCCCC1)C(=O)NC2(CCN(CC2)C(=O)O)C#N)N3CCOCC3

Isomeric SMILES

CCOC(=O)NC(=NC(CC1CCCCC1)C(=O)NC2(CCN(CC2)C(=O)O)C#N)N3CCOCC3

InChI

InChI=1S/C24H38N6O6/c1-2-36-22(32)27-21(29-12-14-35-15-13-29)26-19(16-18-6-4-3-5-7-18)20(31)28-24(17-25)8-10-30(11-9-24)23(33)34/h18-19H,2-16H2,1H3,(H,28,31)(H,33,34)(H,26,27,32)