methyl 4-[1-acetamido-2-[2-[(1-azanylisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]benzoate

Systemtic Name: methyl 4-[1-acetamido-2-[2-[(1-azanylisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]benzoate Openeye Name: methyl 4-[1-acetamido-2-[2-[(1-amino-6-isoquinolyl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]benzoate CAS Name: 4-[1-acetamido-2-[2-[[(1-amino-6-isoquinolinyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-acetamido-2-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]benzoate Traditional Name: 4-[1-acetamido-2-[2-[(1-amino-6-isoquinolyl)methylcarbamoyl]pyrrolidino]-2-keto-ethyl]benzoic acid methyl ester Formula: C27H29N5O5 MolecularWeight: 503.54966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C1=CC=C(C=C1)C(=O)OC)C(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

Isomeric SMILES

CC(=O)NC(C1=CC=C(C=C1)C(=O)OC)C(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

InChI

InChI=1S/C27H29N5O5/c1-16(33)31-23(18-6-8-19(9-7-18)27(36)37-2)26(35)32-13-3-4-22(32)25(34)30-15-17-5-10-21-20(14-17)11-12-29-24(21)28/h5-12,14,22-23H,3-4,13,15H2,1-2H3,(H2,28,29)(H,30,34)(H,31,33)