tert-butyl N-[1-[2-[(6-carbamimidoylpyridin-3-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[2-[(6-carbamimidoylpyridin-3-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-[2-[(6-carbamimidoyl-3-pyridyl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[1-[2-[[(6-carbamimidoyl-3-pyridinyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-[(6-carbamimidoylpyridin-3-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[2-[2-[(6-amidino-3-pyridyl)methylcarbamoyl]pyrrolidino]-1-benzyl-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C26H34N6O4 MolecularWeight: 494.58596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCC3=CN=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCC3=CN=C(C=C3)C(=N)N

InChI

InChI=1S/C26H34N6O4/c1-26(2,3)36-25(35)31-20(14-17-8-5-4-6-9-17)24(34)32-13-7-10-21(32)23(33)30-16-18-11-12-19(22(27)28)29-15-18/h4-6,8-9,11-12,15,20-21H,7,10,13-14,16H2,1-3H3,(H3,27,28)(H,30,33)(H,31,35)