(phenylmethyl) 2-[3-(2-cyanopyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[3-(2-cyanopyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]sulfanylethanoate Openeye Name: benzyl 2-[2-(tert-butoxycarbonylamino)-3-(2-cyanopyrrolidin-1-yl)-3-oxo-propyl]sulfanylacetate CAS Name: 2-[[3-(2-cyano-1-pyrrolidinyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(2-cyanopyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]sulfanylacetate Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-(2-cyanopyrrolidino)-3-keto-propyl]thio]acetic acid benzyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC(=O)OCC1=CC=CC=C1)C(=O)N2CCCC2C#N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC(=O)OCC1=CC=CC=C1)C(=O)N2CCCC2C#N

InChI

InChI=1S/C22H29N3O5S/c1-22(2,3)30-21(28)24-18(20(27)25-11-7-10-17(25)12-23)14-31-15-19(26)29-13-16-8-5-4-6-9-16/h4-6,8-9,17-18H,7,10-11,13-15H2,1-3H3,(H,24,28)