hexadecyl (2R)-6-azanyl-2-[[3-(propan-2-ylcarbamoyl)phenyl]carbonylamino]hexanoate

Systemtic Name: hexadecyl (2R)-6-azanyl-2-[[3-(propan-2-ylcarbamoyl)phenyl]carbonylamino]hexanoate Openeye Name: hexadecyl (2R)-6-amino-2-[[3-(isopropylcarbamoyl)benzoyl]amino]hexanoate CAS Name: (2R)-6-amino-2-[[oxo-[3-[oxo-(propan-2-ylamino)methyl]phenyl]methyl]amino]hexanoic acid hexadecyl ester IUPAC Name: hexadecyl (2R)-6-amino-2-[[3-(propan-2-ylcarbamoyl)benzoyl]amino]hexanoate Traditional Name: (2R)-6-amino-2-[[3-(isopropylcarbamoyl)benzoyl]amino]hexanoic acid cetyl ester Formula: C33H57N3O4 MolecularWeight: 559.82338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CCCCN)NC(=O)C1=CC(=CC=C1)C(=O)NC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)[C@@H](CCCCN)NC(=O)C1=CC(=CC=C1)C(=O)NC(C)C

InChI

InChI=1S/C33H57N3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-40-33(39)30(23-17-18-24-34)36-32(38)29-22-20-21-28(26-29)31(37)35-27(2)3/h20-22,26-27,30H,4-19,23-25,34H2,1-3H3,(H,35,37)(H,36,38)/t30-/m1/s1