methyl 3-[2-[5-[(2-aminophenyl)carbamothioylamino]pentanoylamino]ethanoylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: methyl 3-[2-[5-[(2-aminophenyl)carbamothioylamino]pentanoylamino]ethanoylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl 3-[[2-[5-[(2-aminophenyl)carbamothioylamino]pentanoylamino]acetyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[2-[[5-[[(2-aminoanilino)-sulfanylidenemethyl]amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[5-[(2-aminophenyl)carbamothioylamino]pentanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[2-[5-[(2-aminophenyl)thiocarbamoylamino]pentanoylamino]acetyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C23H30N6O4S MolecularWeight: 486.5871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CN=CC=C1)NC(=O)CNC(=O)CCCCNC(=S)NC2=CC=CC=C2N

Isomeric SMILES

COC(=O)CC(C1=CN=CC=C1)NC(=O)CNC(=O)CCCCNC(=S)NC2=CC=CC=C2N

InChI

InChI=1S/C23H30N6O4S/c1-33-22(32)13-19(16-7-6-11-25-14-16)28-21(31)15-27-20(30)10-4-5-12-26-23(34)29-18-9-3-2-8-17(18)24/h2-3,6-9,11,14,19H,4-5,10,12-13,15,24H2,1H3,(H,27,30)(H,28,31)(H2,26,29,34)