2-[[1-[(3-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]-3-(4-thiophen-3-ylphenyl)propanoic acid

Systemtic Name: 2-[[1-[(3-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]-3-(4-thiophen-3-ylphenyl)propanoic acid Openeye Name: 2-[[1-[(3-methyl-2-sulfanyl-pentanoyl)amino]cyclopentanecarbonyl]amino]-3-[4-(3-thienyl)phenyl]propanoic acid CAS Name: 2-[[[1-[(2-mercapto-3-methyl-1-oxopentyl)amino]cyclopentyl]-oxomethyl]amino]-3-[4-(3-thiophenyl)phenyl]propanoic acid IUPAC Name: 2-[[1-[(3-methyl-2-sulfanylpentanoyl)amino]cyclopentanecarbonyl]amino]-3-(4-thiophen-3-ylphenyl)propanoic acid Traditional Name: 2-[[1-[(2-mercapto-3-methyl-pentanoyl)amino]cyclopentanecarbonyl]amino]-3-[4-(3-thienyl)phenyl]propionic acid Formula: C25H32N2O4S2 MolecularWeight: 488.66258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4S2/c1-3-16(2)21(32)22(28)27-25(11-4-5-12-25)24(31)26-20(23(29)30)14-17-6-8-18(9-7-17)19-10-13-33-15-19/h6-10,13,15-16,20-21,32H,3-5,11-12,14H2,1-2H3,(H,26,31)(H,27,28)(H,29,30)