2-methylpropyl N-[1-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]-2,5-dihydropyrrol-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: 2-methylpropyl N-[1-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]-2,5-dihydropyrrol-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: isobutyl N-[2-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]-2,5-dihydropyrrol-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-[2-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-2,5-dihydropyrrol-1-yl]-3-hydroxy-1-oxopropan-2-yl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[1-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]-2,5-dihydropyrrol-1-yl]-3-hydroxy-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[2-[(4-amidinobenzyl)carbamoyl]-3-pyrrolin-1-yl]-2-keto-1-methylol-ethyl]carbamic acid isobutyl ester Formula: C21H29N5O5 MolecularWeight: 431.48546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC(CO)C(=O)N1CC=CC1C(=O)NCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C)COC(=O)NC(CO)C(=O)N1CC=CC1C(=O)NCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H29N5O5/c1-13(2)12-31-21(30)25-16(11-27)20(29)26-9-3-4-17(26)19(28)24-10-14-5-7-15(8-6-14)18(22)23/h3-8,13,16-17,27H,9-12H2,1-2H3,(H3,22,23)(H,24,28)(H,25,30)