5-azanyl-2-(1-cyclohexylcyclohexyl)-2-[2-(ethylamino)ethanoyl-(4-piperidin-4-ylbutanoyl)amino]-4-oxidanylidene-heptanedioic acid

Systemtic Name: 5-azanyl-2-(1-cyclohexylcyclohexyl)-2-[2-(ethylamino)ethanoyl-(4-piperidin-4-ylbutanoyl)amino]-4-oxidanylidene-heptanedioic acid Openeye Name: 5-amino-2-(1-cyclohexylcyclohexyl)-2-[[2-(ethylamino)acetyl]-[4-(4-piperidyl)butanoyl]amino]-4-oxo-heptanedioic acid CAS Name: 5-amino-2-(1-cyclohexylcyclohexyl)-2-[[2-(ethylamino)-1-oxoethyl]-[1-oxo-4-(4-piperidinyl)butyl]amino]-4-oxoheptanedioic acid IUPAC Name: 5-amino-2-(1-cyclohexylcyclohexyl)-2-[[2-(ethylamino)acetyl]-(4-piperidin-4-ylbutanoyl)amino]-4-oxoheptanedioic acid Traditional Name: 5-amino-2-(1-cyclohexylcyclohexyl)-2-[[2-(ethylamino)acetyl]-[4-(4-piperidyl)butanoyl]amino]-4-keto-pimelic acid Formula: C32H54N4O7 MolecularWeight: 606.79376

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC(=O)N(C(=O)CCCC1CCNCC1)C(CC(=O)C(CC(=O)O)N)(C(=O)O)C2(CCCCC2)C3CCCCC3

Isomeric SMILES

CCNCC(=O)N(C(=O)CCCC1CCNCC1)C(CC(=O)C(CC(=O)O)N)(C(=O)O)C2(CCCCC2)C3CCCCC3

InChI

InChI=1S/C32H54N4O7/c1-2-34-22-28(39)36(27(38)13-9-10-23-14-18-35-19-15-23)32(30(42)43,21-26(37)25(33)20-29(40)41)31(16-7-4-8-17-31)24-11-5-3-6-12-24/h23-25,34-35H,2-22,33H2,1H3,(H,40,41)(H,42,43)