2-[[2-methyl-2-[(4-methyl-2-sulfanyl-pentanoyl)amino]propanoyl]amino]-3-(6-thiophen-3-ylpyridin-3-yl)propanoic acid

Systemtic Name: 2-[[2-methyl-2-[(4-methyl-2-sulfanyl-pentanoyl)amino]propanoyl]amino]-3-(6-thiophen-3-ylpyridin-3-yl)propanoic acid Openeye Name: 2-[[2-methyl-2-[(4-methyl-2-sulfanyl-pentanoyl)amino]propanoyl]amino]-3-[6-(3-thienyl)-3-pyridyl]propanoic acid CAS Name: 2-[[2-[(2-mercapto-4-methyl-1-oxopentyl)amino]-2-methyl-1-oxopropyl]amino]-3-[6-(3-thiophenyl)-3-pyridinyl]propanoic acid IUPAC Name: 2-[[2-methyl-2-[(4-methyl-2-sulfanylpentanoyl)amino]propanoyl]amino]-3-(6-thiophen-3-ylpyridin-3-yl)propanoic acid Traditional Name: 2-[[2-[(2-mercapto-4-methyl-pentanoyl)amino]-2-methyl-propanoyl]amino]-3-[6-(3-thienyl)-3-pyridyl]propionic acid Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)(C)C(=O)NC(CC1=CN=C(C=C1)C2=CSC=C2)C(=O)O)S

Isomeric SMILES

CC(C)CC(C(=O)NC(C)(C)C(=O)NC(CC1=CN=C(C=C1)C2=CSC=C2)C(=O)O)S

InChI

InChI=1S/C22H29N3O4S2/c1-13(2)9-18(30)19(26)25-22(3,4)21(29)24-17(20(27)28)10-14-5-6-16(23-11-14)15-7-8-31-12-15/h5-8,11-13,17-18,30H,9-10H2,1-4H3,(H,24,29)(H,25,26)(H,27,28)