[4-oxidanylidene-4-[(2-oxidanylideneazepan-3-yl)amino]butan-2-yl] 6-[[(Z)-icos-2-enoyl]amino]-2-[[(2E)-4-methyl-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidin-4-yl]carbonylamino]hexanoate

Systemtic Name: [4-oxidanylidene-4-[(2-oxidanylideneazepan-3-yl)amino]butan-2-yl] 6-[[(Z)-icos-2-enoyl]amino]-2-[[(2E)-4-methyl-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidin-4-yl]carbonylamino]hexanoate Openeye Name: [1-methyl-3-oxo-3-[(2-oxoazepan-3-yl)amino]propyl] 6-[[(Z)-icos-2-enoyl]amino]-2-[[(2E)-4-methyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)oxazolidine-4-carbonyl]amino]hexanoate CAS Name: 2-[[[(2E)-4-methyl-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-oxazolidinyl]-oxomethyl]amino]-6-[[(Z)-1-oxoeicos-2-enyl]amino]hexanoic acid [4-oxo-4-[(2-oxo-3-azepanyl)amino]butan-2-yl] ester IUPAC Name: [4-oxo-4-[(2-oxoazepan-3-yl)amino]butan-2-yl] 6-[[(Z)-icos-2-enoyl]amino]-2-[[(2E)-4-methyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidine-4-carbonyl]amino]hexanoate Traditional Name: 6-[[(Z)-eicos-2-enoyl]amino]-2-[[(2E)-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-methyl-oxazolidine-4-carbonyl]amino]hexanoic acid [3-keto-3-[(2-ketoazepan-3-yl)amino]-1-methyl-propyl] ester Formula: C47H75N5O8 MolecularWeight: 838.1271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC=CC(=O)NCCCCC(C(=O)OC(C)CC(=O)NC1CCCCNC1=O)NC(=O)C2(COC(=C3C=CC=CC3=O)N2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC/C=C\C(=O)NCCCCC(C(=O)OC(C)CC(=O)NC1CCCCNC1=O)NC(=O)C2(CO/C(=C/3\C=CC=CC3=O)/N2)C

InChI

InChI=1S/C47H75N5O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-41(54)48-32-25-24-29-39(45(57)60-36(2)34-42(55)50-38-28-23-26-33-49-43(38)56)51-46(58)47(3)35-59-44(52-47)37-27-21-22-30-40(37)53/h20-22,27,30-31,36,38-39,52H,4-19,23-26,28-29,32-35H2,1-3H3,(H,48,54)(H,49,56)(H,50,55)(H,51,58)/b31-20-,44-37+