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

Systemtic Name: tert-butyl N-[1-[2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3,3-diphenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzhydryl-2-[2-[(5-carbamimidoyl-2-thienyl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[1-[2-[[(5-carbamimidoyl-2-thiophenyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-1-oxo-3,3-diphenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate Traditional Name: N-[1-[2-[(5-amidino-2-thienyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2,2-diphenyl-ethyl]carbamic acid tert-butyl ester Formula: C31H37N5O4S MolecularWeight: 575.72158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)NCC4=CC=C(S4)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)NCC4=CC=C(S4)C(=N)N

InChI

InChI=1S/C31H37N5O4S/c1-31(2,3)40-30(39)35-26(25(20-11-6-4-7-12-20)21-13-8-5-9-14-21)29(38)36-18-10-15-23(36)28(37)34-19-22-16-17-24(41-22)27(32)33/h4-9,11-14,16-17,23,25-26H,10,15,18-19H2,1-3H3,(H3,32,33)(H,34,37)(H,35,39)