[1-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]pyrrolidin-3-yl] benzoate

Systemtic Name: [1-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]pyrrolidin-3-yl] benzoate Openeye Name: [1-[(2S,3S)-2-(tert-butoxycarbonylamino)-3-methyl-pentanoyl]pyrrolidin-3-yl] benzoate CAS Name: benzoic acid [1-[(2S,3S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]-3-pyrrolidinyl] ester IUPAC Name: [1-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]pyrrolidin-3-yl] benzoate Traditional Name: benzoic acid [1-[(2S,3S)-2-(tert-butoxycarbonylamino)-3-methyl-pentanoyl]pyrrolidin-3-yl] ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCC(C1)OC(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC(C1)OC(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H32N2O5/c1-6-15(2)18(23-21(27)29-22(3,4)5)19(25)24-13-12-17(14-24)28-20(26)16-10-8-7-9-11-16/h7-11,15,17-18H,6,12-14H2,1-5H3,(H,23,27)/t15-,17?,18-/m0/s1