tert-butyl (4S)-5-[(4-carbamimidoylphenyl)methylamino]-5-oxidanylidene-4-(thiophen-2-ylcarbonylamino)pentanoate

Systemtic Name: tert-butyl (4S)-5-[(4-carbamimidoylphenyl)methylamino]-5-oxidanylidene-4-(thiophen-2-ylcarbonylamino)pentanoate Openeye Name: tert-butyl (4S)-5-[(4-carbamimidoylphenyl)methylamino]-5-oxo-4-(thiophene-2-carbonylamino)pentanoate CAS Name: (4S)-5-[(4-carbamimidoylphenyl)methylamino]-5-oxo-4-[[oxo(thiophen-2-yl)methyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-5-[(4-carbamimidoylphenyl)methylamino]-5-oxo-4-(thiophene-2-carbonylamino)pentanoate Traditional Name: (4S)-5-[(4-amidinobenzyl)amino]-5-keto-4-(2-thenoylamino)valeric acid tert-butyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)NCC1=CC=C(C=C1)C(=N)N)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)NCC1=CC=C(C=C1)C(=N)N)NC(=O)C2=CC=CS2

InChI

InChI=1S/C22H28N4O4S/c1-22(2,3)30-18(27)11-10-16(26-21(29)17-5-4-12-31-17)20(28)25-13-14-6-8-15(9-7-14)19(23)24/h4-9,12,16H,10-11,13H2,1-3H3,(H3,23,24)(H,25,28)(H,26,29)/t16-/m0/s1