dimethyl (2S)-2-[11-(prop-2-enoylamino)undecanoylamino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[11-(prop-2-enoylamino)undecanoylamino]pentanedioate Openeye Name: dimethyl (2S)-2-[11-(prop-2-enoylamino)undecanoylamino]pentanedioate CAS Name: (2S)-2-[[1-oxo-11-(1-oxoprop-2-enylamino)undecyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[11-(prop-2-enoylamino)undecanoylamino]pentanedioate Traditional Name: (2S)-2-(11-acrylamidoundecanoylamino)glutaric acid dimethyl ester Formula: C21H36N2O6 MolecularWeight: 412.52034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)NC(=O)CCCCCCCCCCNC(=O)C=C

Isomeric SMILES

COC(=O)CC[C@@H](C(=O)OC)NC(=O)CCCCCCCCCCNC(=O)C=C

InChI

InChI=1S/C21H36N2O6/c1-4-18(24)22-16-12-10-8-6-5-7-9-11-13-19(25)23-17(21(27)29-3)14-15-20(26)28-2/h4,17H,1,5-16H2,2-3H3,(H,22,24)(H,23,25)/t17-/m0/s1