(2R)-2-[[2-[(5-butylpyridin-2-yl)carbonylamino]-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-[(5-butylpyridin-2-yl)carbonylamino]-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[(5-butylpyridine-2-carbonyl)amino]-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-[[(5-butyl-2-pyridinyl)-oxomethyl]amino]-3-mercapto-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(5-butylpyridine-2-carbonyl)amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-[(5-butylpicolinoyl)amino]-3-mercapto-propanoyl]amino]-3-phenyl-propionic acid Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(C=C1)C(=O)NC(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCC1=CN=C(C=C1)C(=O)NC(CS)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H27N3O4S/c1-2-3-7-16-10-11-17(23-13-16)20(26)25-19(14-30)21(27)24-18(22(28)29)12-15-8-5-4-6-9-15/h4-6,8-11,13,18-19,30H,2-3,7,12,14H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t18-,19?/m1/s1