(phenylmethyl) 6-[(3-azanyl-3-oxidanylidene-propyl)-tridecyl-amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexanoate

Systemtic Name: (phenylmethyl) 6-[(3-azanyl-3-oxidanylidene-propyl)-tridecyl-amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexanoate Openeye Name: benzyl 6-[(3-amino-3-oxo-propyl)-tridecyl-amino]-5-(tert-butoxycarbonylamino)-6-oxo-hexanoate CAS Name: 6-[(3-amino-3-oxopropyl)-tridecylamino]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[(3-amino-3-oxopropyl)-tridecylamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoate Traditional Name: 6-[(3-amino-3-keto-propyl)-tridecyl-amino]-5-(tert-butoxycarbonylamino)-6-keto-hexanoic acid benzyl ester Formula: C34H57N3O6 MolecularWeight: 603.83288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H57N3O6/c1-5-6-7-8-9-10-11-12-13-14-18-25-37(26-24-30(35)38)32(40)29(36-33(41)43-34(2,3)4)22-19-23-31(39)42-27-28-20-16-15-17-21-28/h15-17,20-21,29H,5-14,18-19,22-27H2,1-4H3,(H2,35,38)(H,36,41)