(2S)-2-[[(E)-hexadec-8-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[[(E)-hexadec-8-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[[(E)-hexadec-8-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(E)-1-oxohexadec-8-enyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(E)-hexadec-8-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[[(E)-hexadec-8-enoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCCCC/C=C/CCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C27H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(30)29-25(27(31)32)20-22-21-28-24-18-16-15-17-23(22)24/h8-9,15-18,21,25,28H,2-7,10-14,19-20H2,1H3,(H,29,30)(H,31,32)/b9-8+/t25-/m0/s1