4-methylsulfanyl-2-[[3-[(3-sulfanylpyrrolidin-2-yl)methylamino]naphthalen-1-yl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[3-[(3-sulfanylpyrrolidin-2-yl)methylamino]naphthalen-1-yl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[3-[(3-sulfanylpyrrolidin-2-yl)methylamino]naphthalene-1-carbonyl]amino]butanoic acid CAS Name: 2-[[[3-[(3-mercapto-2-pyrrolidinyl)methylamino]-1-naphthalenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[3-[(3-sulfanylpyrrolidin-2-yl)methylamino]naphthalene-1-carbonyl]amino]butanoic acid Traditional Name: 2-[[3-[(3-mercaptopyrrolidin-2-yl)methylamino]-1-naphthoyl]amino]-4-(methylthio)butyric acid Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC(=CC2=CC=CC=C21)NCC3C(CCN3)S

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC(=CC2=CC=CC=C21)NCC3C(CCN3)S

InChI

InChI=1S/C21H27N3O3S2/c1-29-9-7-17(21(26)27)24-20(25)16-11-14(10-13-4-2-3-5-15(13)16)23-12-18-19(28)6-8-22-18/h2-5,10-11,17-19,22-23,28H,6-9,12H2,1H3,(H,24,25)(H,26,27)