O1-[(3S)-1-azanyl-15-methyl-1-oxidanylidene-hexadecan-3-yl] O6-(phenylmethyl) (2S)-2-azanylhexanedioate

Systemtic Name: O1-[(3S)-1-azanyl-15-methyl-1-oxidanylidene-hexadecan-3-yl] O6-(phenylmethyl) (2S)-2-azanylhexanedioate Openeye Name: O1-[(1S)-1-(2-amino-2-oxo-ethyl)-13-methyl-tetradecyl] O6-benzyl (2S)-2-aminohexanedioate CAS Name: (2S)-2-aminohexanedioic acid O1-[(3S)-1-amino-15-methyl-1-oxohexadecan-3-yl] ester O6-(phenylmethyl) ester IUPAC Name: 1-O-[(3S)-1-amino-15-methyl-1-oxohexadecan-3-yl] 6-O-benzyl (2S)-2-aminohexanedioate Traditional Name: (2S)-2-aminoadipic acid O1-[(1S)-1-(2-amino-2-keto-ethyl)-13-methyl-tetradecyl] ester O6-benzyl ester Formula: C30H50N2O5 MolecularWeight: 518.7284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)N

Isomeric SMILES

CC(C)CCCCCCCCCCC[C@@H](CC(=O)N)OC(=O)[C@H](CCCC(=O)OCC1=CC=CC=C1)N

InChI

InChI=1S/C30H50N2O5/c1-24(2)16-11-8-6-4-3-5-7-9-14-19-26(22-28(32)33)37-30(35)27(31)20-15-21-29(34)36-23-25-17-12-10-13-18-25/h10,12-13,17-18,24,26-27H,3-9,11,14-16,19-23,31H2,1-2H3,(H2,32,33)/t26-,27-/m0/s1