ethyl 3-[3-[(4-carbamimidoylphenyl)carbamothioylamino]propanoylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 3-[3-[(4-carbamimidoylphenyl)carbamothioylamino]propanoylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[3-[(4-carbamimidoylphenyl)carbamothioylamino]propanoylamino]-3-(3-pyridyl)propanoate CAS Name: 3-[[3-[[(4-carbamimidoylanilino)-sulfanylidenemethyl]amino]-1-oxopropyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[(4-carbamimidoylphenyl)carbamothioylamino]propanoylamino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[3-[(4-amidinophenyl)thiocarbamoylamino]propanoylamino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C21H26N6O3S MolecularWeight: 442.53454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)CCNC(=S)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)CCNC(=S)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H26N6O3S/c1-2-30-19(29)12-17(15-4-3-10-24-13-15)27-18(28)9-11-25-21(31)26-16-7-5-14(6-8-16)20(22)23/h3-8,10,13,17H,2,9,11-12H2,1H3,(H3,22,23)(H,27,28)(H2,25,26,31)