methyl 2-[[2-[(7-azanyl-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-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-1,2,5-dithiazocane-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[2-[(7-amino-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-1,2,5-dithiazocane-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-(7-amino-1,2,5-dithiazocane-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C23H34N4O4S2 MolecularWeight: 494.67046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O4S2/c1-14(2)8-18(23(30)31-3)26-21(28)20-9-15-6-4-5-7-16(15)11-27(20)22(29)19-13-33-32-12-17(24)10-25-19/h4-7,14,17-20,25H,8-13,24H2,1-3H3,(H,26,28)