3-[2-[[5-[(phenylmethyl)carbamoylamino]thiophen-2-yl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[[5-[(phenylmethyl)carbamoylamino]thiophen-2-yl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[[5-(benzylcarbamoylamino)thiophene-2-carbonyl]amino]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[1-oxo-2-[[oxo-[5-[[oxo-[(phenylmethyl)amino]methyl]amino]-2-thiophenyl]methyl]amino]ethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[[5-(benzylcarbamoylamino)thiophene-2-carbonyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[[5-(benzylcarbamoylamino)thiophene-2-carbonyl]amino]acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C23H23N5O5S MolecularWeight: 481.52422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC2=CC=C(S2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC2=CC=C(S2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C23H23N5O5S/c29-19(27-17(11-21(30)31)16-7-4-10-24-13-16)14-25-22(32)18-8-9-20(34-18)28-23(33)26-12-15-5-2-1-3-6-15/h1-10,13,17H,11-12,14H2,(H,25,32)(H,27,29)(H,30,31)(H2,26,28,33)