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

Systemtic Name: O1-(1-azanyl-1-oxidanylidene-pentadecan-2-yl) O6-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate Openeye Name: O6-benzyl O1-(1-carbamoyltetradecyl) 2-(tert-butoxycarbonylamino)hexanedioate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanedioic acid O1-(1-amino-1-oxopentadecan-2-yl) ester O6-(phenylmethyl) ester IUPAC Name: 1-O-(1-amino-1-oxopentadecan-2-yl) 6-O-benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate Traditional Name: 2-(tert-butoxycarbonylamino)adipic acid O6-benzyl ester O1-(1-carbamoyltetradecyl) ester Formula: C33H54N2O7 MolecularWeight: 590.79106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H54N2O7/c1-5-6-7-8-9-10-11-12-13-14-18-23-28(30(34)37)41-31(38)27(35-32(39)42-33(2,3)4)22-19-24-29(36)40-25-26-20-16-15-17-21-26/h15-17,20-21,27-28H,5-14,18-19,22-25H2,1-4H3,(H2,34,37)(H,35,39)