N-[2-[[1-[2-adamantyl-(2-azanyl-4-methylsulfinyl-butanoyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-2-azanyl-4-methyl-pentanamide hydrate hydrochloride

Systemtic Name: N-[2-[[1-[2-adamantyl-(2-azanyl-4-methylsulfinyl-butanoyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-2-azanyl-4-methyl-pentanamide hydrate hydrochloride Openeye Name: N-[2-[[2-[2-adamantyl-(2-amino-4-methylsulfinyl-butanoyl)amino]-1-benzyl-2-oxo-ethyl]amino]-2-oxo-ethyl]-2-amino-4-methyl-pentanamide hydrate hydrochloride CAS Name: N-[2-[[1-[2-adamantyl-(2-amino-4-methylsulfinyl-1-oxobutyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-amino-4-methylpentanamide hydrate hydrochloride IUPAC Name: N-[2-[[1-[2-adamantyl-(2-amino-4-methylsulfinylbutanoyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-amino-4-methylpentanamide hydrate hydrochloride Traditional Name: N-[2-[[2-[2-adamantyl-(2-amino-4-methylsulfinyl-butanoyl)amino]-1-benzyl-2-keto-ethyl]amino]-2-keto-ethyl]-2-amino-4-methyl-valeramide hydrate hydrochloride Formula: C32H52ClN5O6S MolecularWeight: 670.30318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(C2C3CC4CC(C3)CC2C4)C(=O)C(CCS(=O)C)N)N.O.Cl

Isomeric SMILES

CC(C)CC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(C2C3CC4CC(C3)CC2C4)C(=O)C(CCS(=O)C)N)N.O.Cl

InChI

InChI=1S/C32H49N5O5S.ClH.H2O/c1-19(2)11-26(34)30(39)35-18-28(38)36-27(17-20-7-5-4-6-8-20)32(41)37(31(40)25(33)9-10-43(3)42)29-23-13-21-12-22(15-23)16-24(29)14-21;;/h4-8,19,21-27,29H,9-18,33-34H2,1-3H3,(H,35,39)(H,36,38);1H;1H2