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

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]-4-methyl-pentanoate Openeye Name: methyl 2-[[2-(7-amino-3,3-dimethyl-1,2,5-dithiazocane-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-4-methyl-pentanoate 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 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]-4-methylpentanoate 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 methyl ester Formula: C25H38N4O4S2 MolecularWeight: 522.72362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N4O4S2/c1-15(2)10-19(24(32)33-5)28-22(30)20-11-16-8-6-7-9-17(16)13-29(20)23(31)21-25(3,4)35-34-14-18(26)12-27-21/h6-9,15,18-21,27H,10-14,26H2,1-5H3,(H,28,30)