9H-fluoren-9-ylmethyl N-[(2S)-1-(2,3-didodecoxypropylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-(2,3-didodecoxypropylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(1S)-2-(2,3-didodecoxypropylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(2,3-didodecoxypropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-(2,3-didodecoxypropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(2,3-dilauryloxypropylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C53H77N3O5 MolecularWeight: 836.19558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCC(CNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOCC(CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OCCCCCCCCCCCC

InChI

InChI=1S/C53H77N3O5/c1-3-5-7-9-11-13-15-17-19-27-35-59-40-43(60-36-28-20-18-16-14-12-10-8-6-4-2)39-55-52(57)51(37-42-38-54-50-34-26-25-29-44(42)50)56-53(58)61-41-49-47-32-23-21-30-45(47)46-31-22-24-33-48(46)49/h21-26,29-34,38,43,49,51,54H,3-20,27-28,35-37,39-41H2,1-2H3,(H,55,57)(H,56,58)/t43?,51-/m0/s1