methyl 2-[[2-cyclohexyl-2-(hex-5-enoxycarbonylamino)ethanoyl]amino]-3-(3-prop-2-enoxycarbonyloxyphenyl)propanoate

Systemtic Name: methyl 2-[[2-cyclohexyl-2-(hex-5-enoxycarbonylamino)ethanoyl]amino]-3-(3-prop-2-enoxycarbonyloxyphenyl)propanoate Openeye Name: methyl 3-(3-allyloxycarbonyloxyphenyl)-2-[[2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetyl]amino]propanoate CAS Name: 2-[[2-cyclohexyl-2-[[hex-5-enoxy(oxo)methyl]amino]-1-oxoethyl]amino]-3-[3-[oxo(prop-2-enoxy)methoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[[2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetyl]amino]-3-(3-prop-2-enoxycarbonyloxyphenyl)propanoate Traditional Name: 3-(3-allyloxycarbonyloxyphenyl)-2-[[2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetyl]amino]propionic acid methyl ester Formula: C29H40N2O8 MolecularWeight: 544.6365

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=CC=C1)OC(=O)OCC=C)NC(=O)C(C2CCCCC2)NC(=O)OCCCCC=C

Isomeric SMILES

COC(=O)C(CC1=CC(=CC=C1)OC(=O)OCC=C)NC(=O)C(C2CCCCC2)NC(=O)OCCCCC=C

InChI

InChI=1S/C29H40N2O8/c1-4-6-7-11-18-37-28(34)31-25(22-14-9-8-10-15-22)26(32)30-24(27(33)36-3)20-21-13-12-16-23(19-21)39-29(35)38-17-5-2/h4-5,12-13,16,19,22,24-25H,1-2,6-11,14-15,17-18,20H2,3H3,(H,30,32)(H,31,34)