(phenylmethyl) 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-(12-oxidanylidenedodecanoylamino)hexanoate

Systemtic Name: (phenylmethyl) 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-(12-oxidanylidenedodecanoylamino)hexanoate Openeye Name: benzyl 5-(tert-butoxycarbonylamino)-6-oxo-6-(12-oxododecanoylamino)hexanoate CAS Name: 6-(1,12-dioxododecylamino)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(12-oxododecanoylamino)hexanoate Traditional Name: 5-(tert-butoxycarbonylamino)-6-keto-6-(12-ketododecanoylamino)hexanoic acid benzyl ester Formula: C30H46N2O7 MolecularWeight: 546.69544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCC(=O)OCC1=CC=CC=C1)C(=O)NC(=O)CCCCCCCCCCC=O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCC(=O)OCC1=CC=CC=C1)C(=O)NC(=O)CCCCCCCCCCC=O

InChI

InChI=1S/C30H46N2O7/c1-30(2,3)39-29(37)31-25(19-16-21-27(35)38-23-24-17-12-11-13-18-24)28(36)32-26(34)20-14-9-7-5-4-6-8-10-15-22-33/h11-13,17-18,22,25H,4-10,14-16,19-21,23H2,1-3H3,(H,31,37)(H,32,34,36)