methyl 3-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-oxidanylidene-pyrrolidin-1-yl]benzoate

Systemtic Name: methyl 3-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-oxidanylidene-pyrrolidin-1-yl]benzoate Openeye Name: methyl 3-[[(E)-N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]amino]-4-[2-[(tert-butoxycarbonylamino)methyl]-5-oxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-5-oxo-1-pyrrolidinyl]-3-[[(E)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-oxopyrrolidin-1-yl]benzoate Traditional Name: 3-[[(E)-N,N'-bis(tert-butoxycarbonyl)amidino]amino]-4-[2-[(tert-butoxycarbonylamino)methyl]-5-keto-pyrrolidino]benzoic acid methyl ester Formula: C29H43N5O9 MolecularWeight: 605.67982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCC(=O)N1C2=C(C=C(C=C2)C(=O)OC)NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CCC(=O)N1C2=C(C=C(C=C2)C(=O)OC)N/C(=N\C(=O)OC(C)(C)C)/NC(=O)OC(C)(C)C

InChI

InChI=1S/C29H43N5O9/c1-27(2,3)41-24(37)30-16-18-12-14-21(35)34(18)20-13-11-17(22(36)40-10)15-19(20)31-23(32-25(38)42-28(4,5)6)33-26(39)43-29(7,8)9/h11,13,15,18H,12,14,16H2,1-10H3,(H,30,37)(H2,31,32,33,38,39)