2-[[4-[[2-azanyl-4-oxidanylidene-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanoyl]amino]-5-cyclohexyl-3-oxidanyl-pentanoyl]amino]-N-(2-azanyl-3-phenyl-propanoyl)-4-methyl-pentanamide hydrochloride

Systemtic Name: 2-[[4-[[2-azanyl-4-oxidanylidene-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanoyl]amino]-5-cyclohexyl-3-oxidanyl-pentanoyl]amino]-N-(2-azanyl-3-phenyl-propanoyl)-4-methyl-pentanamide hydrochloride Openeye Name: 2-[[4-[[2-amino-4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanoyl]amino]-5-cyclohexyl-3-hydroxy-pentanoyl]amino]-N-(2-amino-3-phenyl-propanoyl)-4-methyl-pentanamide hydrochloride CAS Name: 2-[[4-[[2-amino-1,4-dioxo-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)butyl]amino]-5-cyclohexyl-3-hydroxy-1-oxopentyl]amino]-N-(2-amino-1-oxo-3-phenylpropyl)-4-methylpentanamide hydrochloride IUPAC Name: 2-[[4-[[2-amino-4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanoyl]amino]-5-cyclohexyl-3-hydroxypentanoyl]amino]-N-(2-amino-3-phenylpropanoyl)-4-methylpentanamide hydrochloride Traditional Name: 2-[[4-[[2-amino-4-keto-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanoyl]amino]-5-cyclohexyl-3-hydroxy-pentanoyl]amino]-4-methyl-N-phenylalanyl-valeramide hydrochloride Formula: C39H57ClN6O6 MolecularWeight: 741.35948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(=O)C(CC1=CC=CC=C1)N)NC(=O)CC(C(CC2CCCCC2)NC(=O)C(CC(=O)C3C4=CC=CC=C4CCN3)N)O.Cl

Isomeric SMILES

CC(C)CC(C(=O)NC(=O)C(CC1=CC=CC=C1)N)NC(=O)CC(C(CC2CCCCC2)NC(=O)C(CC(=O)C3C4=CC=CC=C4CCN3)N)O.Cl

InChI

InChI=1S/C39H56N6O6.ClH/c1-24(2)19-32(39(51)45-38(50)29(40)20-25-11-5-3-6-12-25)43-35(48)23-33(46)31(21-26-13-7-4-8-14-26)44-37(49)30(41)22-34(47)36-28-16-10-9-15-27(28)17-18-42-36;/h3,5-6,9-12,15-16,24,26,29-33,36,42,46H,4,7-8,13-14,17-23,40-41H2,1-2H3,(H,43,48)(H,44,49)(H,45,50,51);1H