methyl N-[1-[2-[(5-carbamimidoylthiophen-3-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3,3-diphenyl-propan-2-yl]carbamate

Systemtic Name: methyl N-[1-[2-[(5-carbamimidoylthiophen-3-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3,3-diphenyl-propan-2-yl]carbamate Openeye Name: methyl N-[1-benzhydryl-2-[2-[(5-carbamimidoyl-3-thienyl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[1-[2-[[(5-carbamimidoyl-3-thiophenyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-1-oxo-3,3-diphenylpropan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[1-[2-[(5-carbamimidoylthiophen-3-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate Traditional Name: N-[1-[2-[(5-amidino-3-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=CSC(=C4)C(=N)N

Isomeric SMILES

COC(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)NCC4=CSC(=C4)C(=N)N

InChI

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