2-[2-[2-[(2-azanyl-3-sulfanyl-propanoyl)-propan-2-yl-amino]ethanoyl-phenyl-amino]propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[2-[(2-azanyl-3-sulfanyl-propanoyl)-propan-2-yl-amino]ethanoyl-phenyl-amino]propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[2-(N-[2-[(2-amino-3-sulfanyl-propanoyl)-isopropyl-amino]acetyl]anilino)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(N-[2-[(2-amino-3-mercapto-1-oxopropyl)-propan-2-ylamino]-1-oxoethyl]anilino)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[2-(N-[2-[(2-amino-3-sulfanylpropanoyl)-propan-2-ylamino]acetyl]anilino)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[2-(N-[2-[(2-amino-3-mercapto-propanoyl)-isopropyl-amino]acetyl]anilino)propanoylamino]-4-(methylthio)butyric acid Formula: C22H34N4O5S2 MolecularWeight: 498.65916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)N(C1=CC=CC=C1)C(C)C(=O)NC(CCSC)C(=O)O)C(=O)C(CS)N

Isomeric SMILES

CC(C)N(CC(=O)N(C1=CC=CC=C1)C(C)C(=O)NC(CCSC)C(=O)O)C(=O)C(CS)N

InChI

InChI=1S/C22H34N4O5S2/c1-14(2)25(21(29)17(23)13-32)12-19(27)26(16-8-6-5-7-9-16)15(3)20(28)24-18(22(30)31)10-11-33-4/h5-9,14-15,17-18,32H,10-13,23H2,1-4H3,(H,24,28)(H,30,31)