methyl 3-azanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-(phenylmethoxycarbonylamino)octanoate

Systemtic Name: methyl 3-azanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-(phenylmethoxycarbonylamino)octanoate Openeye Name: methyl 3-amino-8-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)octanoate CAS Name: 3-amino-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-(phenylmethoxycarbonylamino)octanoic acid methyl ester IUPAC Name: methyl 3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-(phenylmethoxycarbonylamino)octanoate Traditional Name: 3-amino-8-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)caprylic acid methyl ester Formula: C22H35N3O6 MolecularWeight: 437.5298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(CC(=O)OC)N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(CC(=O)OC)N

InChI

InChI=1S/C22H35N3O6/c1-22(2,3)31-21(28)25-18(17(23)14-19(26)29-4)12-8-9-13-24-20(27)30-15-16-10-6-5-7-11-16/h5-7,10-11,17-18H,8-9,12-15,23H2,1-4H3,(H,24,27)(H,25,28)