2-[[1-[(3-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]-3-(5-phenylthiophen-2-yl)propanoic acid

Systemtic Name: 2-[[1-[(3-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]-3-(5-phenylthiophen-2-yl)propanoic acid Openeye Name: 2-[[1-[(3-methyl-2-sulfanyl-pentanoyl)amino]cyclopentanecarbonyl]amino]-3-(5-phenyl-2-thienyl)propanoic acid CAS Name: 2-[[[1-[(2-mercapto-3-methyl-1-oxopentyl)amino]cyclopentyl]-oxomethyl]amino]-3-(5-phenyl-2-thiophenyl)propanoic acid IUPAC Name: 2-[[1-[(3-methyl-2-sulfanylpentanoyl)amino]cyclopentanecarbonyl]amino]-3-(5-phenylthiophen-2-yl)propanoic acid Traditional Name: 2-[[1-[(2-mercapto-3-methyl-pentanoyl)amino]cyclopentanecarbonyl]amino]-3-(5-phenyl-2-thienyl)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(S2)C3=CC=CC=C3)C(=O)O)S

Isomeric SMILES

CCC(C)C(C(=O)NC1(CCCC1)C(=O)NC(CC2=CC=C(S2)C3=CC=CC=C3)C(=O)O)S

InChI

InChI=1S/C25H32N2O4S2/c1-3-16(2)21(32)22(28)27-25(13-7-8-14-25)24(31)26-19(23(29)30)15-18-11-12-20(33-18)17-9-5-4-6-10-17/h4-6,9-12,16,19,21,32H,3,7-8,13-15H2,1-2H3,(H,26,31)(H,27,28)(H,29,30)