[2-azanyl-3-[(E)-1,2-bis(oxidanyl)heptadec-4-en-3-yl]sulfanyl-propanoyl]-methyl-carbamic acid

Systemtic Name: [2-azanyl-3-[(E)-1,2-bis(oxidanyl)heptadec-4-en-3-yl]sulfanyl-propanoyl]-methyl-carbamic acid Openeye Name: [2-amino-3-[(E)-1-(1,2-dihydroxyethyl)pentadec-2-enyl]sulfanyl-propanoyl]-methyl-carbamic acid CAS Name: [2-amino-3-[[(E)-1,2-dihydroxyheptadec-4-en-3-yl]thio]-1-oxopropyl]-methylcarbamic acid IUPAC Name: [2-amino-3-[(E)-1,2-dihydroxyheptadec-4-en-3-yl]sulfanylpropanoyl]-methylcarbamic acid Traditional Name: [2-amino-3-[[(E)-1-(1,2-dihydroxyethyl)pentadec-2-enyl]thio]propanoyl]-methyl-carbamic acid Formula: C22H42N2O5S MolecularWeight: 446.64428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CO)O)SCC(C(=O)N(C)C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(CO)O)SCC(C(=O)N(C)C(=O)O)N

InChI

InChI=1S/C22H42N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(19(26)16-25)30-17-18(23)21(27)24(2)22(28)29/h14-15,18-20,25-26H,3-13,16-17,23H2,1-2H3,(H,28,29)/b15-14+