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

Systemtic Name: 2-[[2-[(7-azanyl-3,3-dimethyl-1,2,5-dithiazocan-4-yl)carbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]hexanoic acid Openeye Name: 2-[[2-(7-amino-3,3-dimethyl-1,2,5-dithiazocane-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid 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 IUPAC Name: 2-[[2-(7-amino-3,3-dimethyl-1,2,5-dithiazocane-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid 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 Formula: C24H36N4O4S2 MolecularWeight: 508.69704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N4O4S2/c1-4-5-10-18(23(31)32)27-21(29)19-11-15-8-6-7-9-16(15)13-28(19)22(30)20-24(2,3)34-33-14-17(25)12-26-20/h6-9,17-20,26H,4-5,10-14,25H2,1-3H3,(H,27,29)(H,31,32)