3-[[3-(phenylcarbamoylamino)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-(phenylcarbamoylamino)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(phenylcarbamoylamino)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[anilino(oxo)methyl]amino]-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(phenylcarbamoylamino)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-(phenylcarbamoylamino)-4-[4-(2-thenoyl)piperazino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C31H30N6O5S MolecularWeight: 598.6721

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)NC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)NC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C31H30N6O5S/c38-28(39)19-24(22-6-4-12-32-20-22)34-29(40)21-10-11-26(25(18-21)35-31(42)33-23-7-2-1-3-8-23)36-13-15-37(16-14-36)30(41)27-9-5-17-43-27/h1-12,17-18,20,24H,13-16,19H2,(H,34,40)(H,38,39)(H2,33,35,42)