2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid

Systemtic Name: 2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid Openeye Name: 3-(4-isoxazol-5-ylphenyl)-2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentanecarbonyl]amino]propanoic acid CAS Name: 3-[4-(5-isoxazolyl)phenyl]-2-[[[1-[(2-mercapto-4-methyl-1-oxopentyl)amino]cyclopentyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentanecarbonyl]amino]-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid Traditional Name: 3-(4-isoxazol-5-ylphenyl)-2-[[1-[(2-mercapto-4-methyl-pentanoyl)amino]cyclopentanecarbonyl]amino]propionic acid Formula: C24H31N3O5S MolecularWeight: 473.58504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1(CCCC1)C(=O)NC(CC2=CC=C(C=C2)C3=CC=NO3)C(=O)O)S

Isomeric SMILES

CC(C)CC(C(=O)NC1(CCCC1)C(=O)NC(CC2=CC=C(C=C2)C3=CC=NO3)C(=O)O)S

InChI

InChI=1S/C24H31N3O5S/c1-15(2)13-20(33)21(28)27-24(10-3-4-11-24)23(31)26-18(22(29)30)14-16-5-7-17(8-6-16)19-9-12-25-32-19/h5-9,12,15,18,20,33H,3-4,10-11,13-14H2,1-2H3,(H,26,31)(H,27,28)(H,29,30)