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

Systemtic Name: methyl 2-(3-azanylpropanoylamino)-3-[1-[(E)-octadec-9-enoyl]imidazol-4-yl]propanoate Openeye Name: methyl 2-(3-aminopropanoylamino)-3-[1-[(E)-octadec-9-enoyl]imidazol-4-yl]propanoate CAS Name: 2-[(3-amino-1-oxopropyl)amino]-3-[1-[(E)-1-oxooctadec-9-enyl]-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-(3-aminopropanoylamino)-3-[1-[(E)-octadec-9-enoyl]imidazol-4-yl]propanoate Traditional Name: 2-(3-aminopropanoylamino)-3-[1-[(E)-octadec-9-enoyl]imidazol-4-yl]propionic acid methyl ester Formula: C28H48N4O4 MolecularWeight: 504.70512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H48N4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(34)32-22-24(30-23-32)21-25(28(35)36-2)31-26(33)19-20-29/h10-11,22-23,25H,3-9,12-21,29H2,1-2H3,(H,31,33)/b11-10+