octadecyl (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: octadecyl (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: octadecyl (2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid octadecyl ester IUPAC Name: octadecyl (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid stearyl ester Formula: C37H54N2O4 MolecularWeight: 590.83566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C37H54N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-27-42-36(40)35(28-32-29-38-34-26-21-20-25-33(32)34)39-37(41)43-30-31-23-18-17-19-24-31/h17-21,23-26,29,35,38H,2-16,22,27-28,30H2,1H3,(H,39,41)/t35-/m0/s1