(2R)-2-[[2-[(5-butylpyridin-2-yl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-[(5-butylpyridin-2-yl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[(5-butylpyridine-2-carbonyl)amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-[[(5-butyl-2-pyridinyl)-oxomethyl]amino]-4-mercapto-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(5-butylpyridine-2-carbonyl)amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-[(5-butylpicolinoyl)amino]-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-2-3-7-17-10-11-18(24-15-17)21(27)25-19(12-13-31)22(28)26-20(23(29)30)14-16-8-5-4-6-9-16/h4-6,8-11,15,19-20,31H,2-3,7,12-14H2,1H3,(H,25,27)(H,26,28)(H,29,30)/t19?,20-/m1/s1