(phenylmethyl) (3S)-4-(azocan-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (3S)-4-(azocan-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: benzyl (3S)-4-(azocan-1-yl)-3-(tert-butoxycarbonylamino)-4-oxo-butanoate CAS Name: (3S)-4-(1-azocanyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-4-(azocan-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: (3S)-4-(azocan-1-yl)-3-(tert-butoxycarbonylamino)-4-keto-butyric acid benzyl ester Formula: C23H34N2O5 MolecularWeight: 418.52646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)N2CCCCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)N2CCCCCCC2

InChI

InChI=1S/C23H34N2O5/c1-23(2,3)30-22(28)24-19(21(27)25-14-10-5-4-6-11-15-25)16-20(26)29-17-18-12-8-7-9-13-18/h7-9,12-13,19H,4-6,10-11,14-17H2,1-3H3,(H,24,28)/t19-/m0/s1