2-(3-azanylpropanoylamino)-3-[1-[(E)-octadec-9-enoyl]imidazol-4-yl]propanoic acid

Systemtic Name: 2-(3-azanylpropanoylamino)-3-[1-[(E)-octadec-9-enoyl]imidazol-4-yl]propanoic acid Openeye Name: 2-(3-aminopropanoylamino)-3-[1-[(E)-octadec-9-enoyl]imidazol-4-yl]propanoic acid CAS Name: 2-[(3-amino-1-oxopropyl)amino]-3-[1-[(E)-1-oxooctadec-9-enyl]-4-imidazolyl]propanoic acid IUPAC Name: 2-(3-aminopropanoylamino)-3-[1-[(E)-octadec-9-enoyl]imidazol-4-yl]propanoic acid Traditional Name: 2-(3-aminopropanoylamino)-3-[1-[(E)-octadec-9-enoyl]imidazol-4-yl]propionic acid Formula: C27H46N4O4 MolecularWeight: 490.67854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)N1C=C(N=C1)CC(C(=O)O)NC(=O)CCN

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)N1C=C(N=C1)CC(C(=O)O)NC(=O)CCN

InChI

InChI=1S/C27H46N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(33)31-21-23(29-22-31)20-24(27(34)35)30-25(32)18-19-28/h9-10,21-22,24H,2-8,11-20,28H2,1H3,(H,30,32)(H,34,35)/b10-9+