methyl 2-(methylamino)-3-[(3S,4R,5S)-5-[(3E,6E)-octa-3,6-dienyl]-4,5-bis(oxidanyl)-2-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanoate

Systemtic Name: methyl 2-(methylamino)-3-[(3S,4R,5S)-5-[(3E,6E)-octa-3,6-dienyl]-4,5-bis(oxidanyl)-2-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanoate Openeye Name: methyl 3-[(3S,4R,5S)-4,5-dihydroxy-5-[(3E,6E)-octa-3,6-dienyl]-2-oxo-pyrrolidin-3-yl]sulfanyl-2-(methylamino)propanoate CAS Name: 3-[[(3S,4R,5S)-4,5-dihydroxy-5-[(3E,6E)-octa-3,6-dienyl]-2-oxo-3-pyrrolidinyl]thio]-2-(methylamino)propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R,5S)-4,5-dihydroxy-5-[(3E,6E)-octa-3,6-dienyl]-2-oxopyrrolidin-3-yl]sulfanyl-2-(methylamino)propanoate Traditional Name: 3-[[(3S,4R,5S)-4,5-dihydroxy-2-keto-5-[(3E,6E)-octa-3,6-dienyl]pyrrolidin-3-yl]thio]-2-(methylamino)propionic acid methyl ester Formula: C17H28N2O5S MolecularWeight: 372.47962

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC=CCCC1(C(C(C(=O)N1)SCC(C(=O)OC)NC)O)O

Isomeric SMILES

C/C=C/C/C=C/CC[C@@]1([C@H]([C@@H](C(=O)N1)SCC(C(=O)OC)NC)O)O

InChI

InChI=1S/C17H28N2O5S/c1-4-5-6-7-8-9-10-17(23)14(20)13(15(21)19-17)25-11-12(18-2)16(22)24-3/h4-5,7-8,12-14,18,20,23H,6,9-11H2,1-3H3,(H,19,21)/b5-4+,8-7+/t12?,13-,14-,17-/m0/s1