2-azanyl-4-[[(E)-octadec-9-enoyl]amino]-3-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-4-[[(E)-octadec-9-enoyl]amino]-3-oxidanylidene-butanoic acid Openeye Name: 2-amino-4-[[(E)-octadec-9-enoyl]amino]-3-oxo-butanoic acid CAS Name: 2-amino-3-oxo-4-[[(E)-1-oxooctadec-9-enyl]amino]butanoic acid IUPAC Name: 2-amino-4-[[(E)-octadec-9-enoyl]amino]-3-oxobutanoic acid Traditional Name: 2-amino-3-keto-4-[[(E)-octadec-9-enoyl]amino]butyric acid Formula: C22H40N2O4 MolecularWeight: 396.564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCC(=O)C(C(=O)O)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCC(=O)C(C(=O)O)N

InChI

InChI=1S/C22H40N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)24-18-19(25)21(23)22(27)28/h9-10,21H,2-8,11-18,23H2,1H3,(H,24,26)(H,27,28)/b10-9+