O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-[(5-chloranyl-1,3-benzoxazol-2-yl)carbamoylamino]hexanedioate

Systemtic Name: O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-[(5-chloranyl-1,3-benzoxazol-2-yl)carbamoylamino]hexanedioate Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-benzyl 2-[(5-chloro-1,3-benzoxazol-2-yl)carbamoylamino]hexanedioate CAS Name: 2-[[[(5-chloro-1,3-benzoxazol-2-yl)amino]-oxomethyl]amino]hexanedioic acid O6-(1-amino-1-oxohexadecan-3-yl) ester O1-(phenylmethyl) ester IUPAC Name: 6-O-(1-amino-1-oxohexadecan-3-yl) 1-O-benzyl 2-[(5-chloro-1,3-benzoxazol-2-yl)carbamoylamino]hexanedioate Traditional Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)carbamoylamino]adipic acid O6-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O1-benzyl ester Formula: C37H51ClN4O7 MolecularWeight: 699.27644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NC(=O)NC2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NC(=O)NC2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C37H51ClN4O7/c1-2-3-4-5-6-7-8-9-10-11-15-19-29(25-33(39)43)48-34(44)21-16-20-30(35(45)47-26-27-17-13-12-14-18-27)40-36(46)42-37-41-31-24-28(38)22-23-32(31)49-37/h12-14,17-18,22-24,29-30H,2-11,15-16,19-21,25-26H2,1H3,(H2,39,43)(H2,40,41,42,46)