methyl 2-[[2-[(7-azanyl-1,2,5-dithiazocan-4-yl)carbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]hexanoate

Systemtic Name: methyl 2-[[2-[(7-azanyl-1,2,5-dithiazocan-4-yl)carbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]hexanoate Openeye Name: methyl 2-[[2-(7-amino-1,2,5-dithiazocane-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoate CAS Name: 2-[[[2-[(7-amino-1,2,5-dithiazocan-4-yl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-(7-amino-1,2,5-dithiazocane-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoate Traditional Name: 2-[[2-(7-amino-1,2,5-dithiazocane-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid methyl ester Formula: C23H34N4O4S2 MolecularWeight: 494.67046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)C1CC2=CC=CC=C2CN1C(=O)C3CSSCC(CN3)N

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)C1CC2=CC=CC=C2CN1C(=O)C3CSSCC(CN3)N

InChI

InChI=1S/C23H34N4O4S2/c1-3-4-9-18(23(30)31-2)26-21(28)20-10-15-7-5-6-8-16(15)12-27(20)22(29)19-14-33-32-13-17(24)11-25-19/h5-8,17-20,25H,3-4,9-14,24H2,1-2H3,(H,26,28)