[2-azanyl-3-[(E)-1-oxidanylhexadec-3-en-2-yl]sulfanyl-propanoyl]-methyl-carbamic acid

Systemtic Name: [2-azanyl-3-[(E)-1-oxidanylhexadec-3-en-2-yl]sulfanyl-propanoyl]-methyl-carbamic acid Openeye Name: [2-amino-3-[(E)-1-(hydroxymethyl)pentadec-2-enyl]sulfanyl-propanoyl]-methyl-carbamic acid CAS Name: [2-amino-3-[[(E)-1-hydroxyhexadec-3-en-2-yl]thio]-1-oxopropyl]-methylcarbamic acid IUPAC Name: [2-amino-3-[(E)-1-hydroxyhexadec-3-en-2-yl]sulfanylpropanoyl]-methylcarbamic acid Traditional Name: [2-amino-3-[[(E)-1-methylolpentadec-2-enyl]thio]propanoyl]-methyl-carbamic acid Formula: C21H40N2O4S MolecularWeight: 416.6183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H40N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(16-24)28-17-19(22)20(25)23(2)21(26)27/h14-15,18-19,24H,3-13,16-17,22H2,1-2H3,(H,26,27)/b15-14+