methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(undec-10-enoylamino)hexanoate

Systemtic Name: methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(undec-10-enoylamino)hexanoate Openeye Name: methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(undec-10-enoylamino)hexanoate CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-6-(1-oxoundec-10-enylamino)hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(undec-10-enoylamino)hexanoate Traditional Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(undec-10-enoylamino)hexanoic acid methyl ester Formula: C33H44N2O5 MolecularWeight: 548.71286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNC(=O)CCCCCCCCC=C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

Isomeric SMILES

COC(=O)[C@H](CCCCNC(=O)CCCCCCCCC=C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C33H44N2O5/c1-3-4-5-6-7-8-9-10-22-31(36)34-23-16-15-21-30(32(37)39-2)35-33(38)40-24-29-27-19-13-11-17-25(27)26-18-12-14-20-28(26)29/h3,11-14,17-20,29-30H,1,4-10,15-16,21-24H2,2H3,(H,34,36)(H,35,38)/t30-/m0/s1