O1-(1-azanyl-1-oxidanylidene-dodecan-3-yl) O6-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate

Systemtic Name: O1-(1-azanyl-1-oxidanylidene-dodecan-3-yl) O6-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate Openeye Name: O1-[1-(2-amino-2-oxo-ethyl)decyl] O6-benzyl 2-(tert-butoxycarbonylamino)hexanedioate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanedioic acid O1-(1-amino-1-oxododecan-3-yl) ester O6-(phenylmethyl) ester IUPAC Name: 1-O-(1-amino-1-oxododecan-3-yl) 6-O-benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate Traditional Name: 2-(tert-butoxycarbonylamino)adipic acid O1-[1-(2-amino-2-keto-ethyl)decyl] ester O6-benzyl ester Formula: C30H48N2O7 MolecularWeight: 548.71132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C30H48N2O7/c1-5-6-7-8-9-10-14-18-24(21-26(31)33)38-28(35)25(32-29(36)39-30(2,3)4)19-15-20-27(34)37-22-23-16-12-11-13-17-23/h11-13,16-17,24-25H,5-10,14-15,18-22H2,1-4H3,(H2,31,33)(H,32,36)