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

Systemtic Name: 2-[[4-methyl-2-[(4-methyl-2-sulfanyl-pentanoyl)amino]pentanoyl]amino]-3-(6-thiophen-2-ylpyridin-3-yl)propanoic acid Openeye Name: 2-[[4-methyl-2-[(4-methyl-2-sulfanyl-pentanoyl)amino]pentanoyl]amino]-3-[6-(2-thienyl)-3-pyridyl]propanoic acid CAS Name: 2-[[2-[(2-mercapto-4-methyl-1-oxopentyl)amino]-4-methyl-1-oxopentyl]amino]-3-(6-thiophen-2-yl-3-pyridinyl)propanoic acid IUPAC Name: 2-[[4-methyl-2-[(4-methyl-2-sulfanylpentanoyl)amino]pentanoyl]amino]-3-(6-thiophen-2-ylpyridin-3-yl)propanoic acid Traditional Name: 2-[[2-[(2-mercapto-4-methyl-pentanoyl)amino]-4-methyl-pentanoyl]amino]-3-[6-(2-thienyl)-3-pyridyl]propionic acid Formula: C24H33N3O4S2 MolecularWeight: 491.66652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CN=C(C=C1)C2=CC=CS2)C(=O)O)NC(=O)C(CC(C)C)S

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CN=C(C=C1)C2=CC=CS2)C(=O)O)NC(=O)C(CC(C)C)S

InChI

InChI=1S/C24H33N3O4S2/c1-14(2)10-18(26-23(29)20(32)11-15(3)4)22(28)27-19(24(30)31)12-16-7-8-17(25-13-16)21-6-5-9-33-21/h5-9,13-15,18-20,32H,10-12H2,1-4H3,(H,26,29)(H,27,28)(H,30,31)