[1-[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]pyrrolidin-3-yl] benzoate

Systemtic Name: [1-[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]pyrrolidin-3-yl] benzoate Openeye Name: [1-[(2S)-2,6-bis(tert-butoxycarbonylamino)hexanoyl]pyrrolidin-3-yl] benzoate CAS Name: benzoic acid [1-[(2S)-2,6-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]-3-pyrrolidinyl] ester IUPAC Name: [1-[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]pyrrolidin-3-yl] benzoate Traditional Name: benzoic acid [1-[(2S)-2,6-bis(tert-butoxycarbonylamino)hexanoyl]pyrrolidin-3-yl] ester Formula: C27H41N3O7 MolecularWeight: 519.63034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41N3O7/c1-26(2,3)36-24(33)28-16-11-10-14-21(29-25(34)37-27(4,5)6)22(31)30-17-15-20(18-30)35-23(32)19-12-8-7-9-13-19/h7-9,12-13,20-21H,10-11,14-18H2,1-6H3,(H,28,33)(H,29,34)/t20?,21-/m0/s1