methyl (2R)-2-[[(2S)-3-oxidanyl-2-(prop-2-enoxycarbonylamino)propanoyl]amino]-3-[(2E,6E)-2,6,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoate

Systemtic Name: methyl (2R)-2-[[(2S)-3-oxidanyl-2-(prop-2-enoxycarbonylamino)propanoyl]amino]-3-[(2E,6E)-2,6,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoate Openeye Name: methyl (2R)-2-[[(2S)-2-(allyloxycarbonylamino)-3-hydroxy-propanoyl]amino]-3-[(2E,6E)-2,6,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoate CAS Name: (2R)-2-[[(2S)-3-hydroxy-1-oxo-2-[[oxo(prop-2-enoxy)methyl]amino]propyl]amino]-3-[[(2E,6E)-2,6,11-trimethyldodeca-2,6,10-trienyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-3-hydroxy-2-(prop-2-enoxycarbonylamino)propanoyl]amino]-3-[(2E,6E)-2,6,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoate Traditional Name: (2R)-2-[[(2S)-2-(allyloxycarbonylamino)-3-hydroxy-propanoyl]amino]-3-[[(2E,6E)-2,6,11-trimethyldodeca-2,6,10-trienyl]thio]propionic acid methyl ester Formula: C26H42N2O6S MolecularWeight: 510.68648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC=C(C)CCC=C(C)CSCC(C(=O)OC)NC(=O)C(CO)NC(=O)OCC=C)C

Isomeric SMILES

CC(=CCC/C=C(\C)/CC/C=C(\C)/CSC[C@@H](C(=O)OC)NC(=O)[C@H](CO)NC(=O)OCC=C)C

InChI

InChI=1S/C26H42N2O6S/c1-7-15-34-26(32)28-22(16-29)24(30)27-23(25(31)33-6)18-35-17-21(5)14-10-13-20(4)12-9-8-11-19(2)3/h7,11-12,14,22-23,29H,1,8-10,13,15-18H2,2-6H3,(H,27,30)(H,28,32)/b20-12+,21-14+/t22-,23-/m0/s1