methyl N-[1-[2-[(4-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3,3-diphenyl-propan-2-yl]carbamate

Systemtic Name: methyl N-[1-[2-[(4-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3,3-diphenyl-propan-2-yl]carbamate Openeye Name: methyl N-[1-benzhydryl-2-[2-[(4-carbamimidoyl-2-thienyl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[1-[2-[[(4-carbamimidoyl-2-thiophenyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-1-oxo-3,3-diphenylpropan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[1-[2-[(4-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate Traditional Name: N-[1-[2-[(4-amidino-2-thienyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2,2-diphenyl-ethyl]carbamic acid methyl ester Formula: C28H31N5O4S MolecularWeight: 533.64184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)NCC4=CC(=CS4)C(=N)N

Isomeric SMILES

COC(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)NCC4=CC(=CS4)C(=N)N

InChI

InChI=1S/C28H31N5O4S/c1-37-28(36)32-24(23(18-9-4-2-5-10-18)19-11-6-3-7-12-19)27(35)33-14-8-13-22(33)26(34)31-16-21-15-20(17-38-21)25(29)30/h2-7,9-12,15,17,22-24H,8,13-14,16H2,1H3,(H3,29,30)(H,31,34)(H,32,36)