(E)-7-[4-[[1-(4-cyclohexylbutylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl]-7-pyridin-3-yl-hept-6-enoate

Systemtic Name: (E)-7-[4-[[1-(4-cyclohexylbutylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl]-7-pyridin-3-yl-hept-6-enoate Openeye Name: (E)-7-[4-[[2-(4-cyclohexylbutylamino)-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]phenyl]-7-(3-pyridyl)hept-6-enoate CAS Name: (E)-7-[4-[[[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-oxomethyl]phenyl]-7-(3-pyridinyl)-6-heptenoate IUPAC Name: (E)-7-[4-[[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoyl]phenyl]-7-pyridin-3-ylhept-6-enoate Traditional Name: (E)-7-[4-[[2-(4-cyclohexylbutylamino)-2-keto-1-methylol-ethyl]carbamoyl]phenyl]-7-(3-pyridyl)hept-6-enoate Formula: C32H42N3O5- MolecularWeight: 548.69298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCNC(=O)C(CO)NC(=O)C2=CC=C(C=C2)C(=CCCCCC(=O)[O-])C3=CN=CC=C3

Isomeric SMILES

C1CCC(CC1)CCCCNC(=O)C(CO)NC(=O)C2=CC=C(C=C2)/C(=C\CCCCC(=O)[O-])/C3=CN=CC=C3

InChI

InChI=1S/C32H43N3O5/c36-23-29(32(40)34-21-8-7-12-24-10-3-1-4-11-24)35-31(39)26-18-16-25(17-19-26)28(27-13-9-20-33-22-27)14-5-2-6-15-30(37)38/h9,13-14,16-20,22,24,29,36H,1-8,10-12,15,21,23H2,(H,34,40)(H,35,39)(H,37,38)/p-1/b28-14+