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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N4O4S2/c1-14(2)9-18(23(31)32)27-21(29)19-10-15-7-5-6-8-16(15)12-28(19)22(30)20-24(3,4)34-33-13-17(25)11-26-20/h5-8,14,17-20,26H,9-13,25H2,1-4H3,(H,27,29)(H,31,32)