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

Systemtic Name: methyl 2-[[2-[(7-azanyl-3,3-dimethyl-1,2,5-dithiazocan-4-yl)carbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]hexanoate Openeye Name: methyl 2-[[2-(7-amino-3,3-dimethyl-1,2,5-dithiazocane-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoate CAS Name: 2-[[[2-[(7-amino-3,3-dimethyl-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-3,3-dimethyl-1,2,5-dithiazocane-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoate Traditional Name: 2-[[2-(7-amino-3,3-dimethyl-1,2,5-dithiazocane-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid methyl ester Formula: C25H38N4O4S2 MolecularWeight: 522.72362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)C1CC2=CC=CC=C2CN1C(=O)C3C(SSCC(CN3)N)(C)C

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)C1CC2=CC=CC=C2CN1C(=O)C3C(SSCC(CN3)N)(C)C

InChI

InChI=1S/C25H38N4O4S2/c1-5-6-11-19(24(32)33-4)28-22(30)20-12-16-9-7-8-10-17(16)14-29(20)23(31)21-25(2,3)35-34-15-18(26)13-27-21/h7-10,18-21,27H,5-6,11-15,26H2,1-4H3,(H,28,30)