methyl (E)-20-[[(5S)-6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexyl]amino]-20-oxidanylidene-icos-10-enoate

Systemtic Name: methyl (E)-20-[[(5S)-6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexyl]amino]-20-oxidanylidene-icos-10-enoate Openeye Name: methyl (E)-20-[[(5S)-5-(tert-butoxycarbonylamino)-6-methoxy-6-oxo-hexyl]amino]-20-oxo-icos-10-enoate CAS Name: (E)-20-[[(5S)-6-methoxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxohexyl]amino]-20-oxo-10-eicosenoic acid methyl ester IUPAC Name: methyl (E)-20-[[(5S)-6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]amino]-20-oxoicos-10-enoate Traditional Name: (E)-20-[[(5S)-5-(tert-butoxycarbonylamino)-6-keto-6-methoxy-hexyl]amino]-20-keto-eicos-10-enoic acid methyl ester Formula: C33H60N2O7 MolecularWeight: 596.8387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)CCCCCCCCC=CCCCCCCCCC(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCCCCCCC/C=C/CCCCCCCCC(=O)OC)C(=O)OC

InChI

InChI=1S/C33H60N2O7/c1-33(2,3)42-32(39)35-28(31(38)41-5)24-22-23-27-34-29(36)25-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-26-30(37)40-4/h6-7,28H,8-27H2,1-5H3,(H,34,36)(H,35,39)/b7-6+/t28-/m0/s1