N-[2-[[1-(1-adamantylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-2-azanyl-4-methylsulfanyl-butanamide hydrochloride

Systemtic Name: N-[2-[[1-(1-adamantylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-2-azanyl-4-methylsulfanyl-butanamide hydrochloride Openeye Name: N-[2-[[2-(1-adamantylamino)-1-benzyl-2-oxo-ethyl]amino]-2-oxo-ethyl]-2-amino-4-methylsulfanyl-butanamide hydrochloride CAS Name: N-[2-[[1-(1-adamantylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-amino-4-(methylthio)butanamide hydrochloride IUPAC Name: N-[2-[[1-(1-adamantylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-amino-4-methylsulfanylbutanamide hydrochloride Traditional Name: N-[2-[[2-(1-adamantylamino)-1-benzyl-2-keto-ethyl]amino]-2-keto-ethyl]-2-amino-4-(methylthio)butyramide hydrochloride Formula: C26H39ClN4O3S MolecularWeight: 523.13086

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)N.Cl

Isomeric SMILES

CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)N.Cl

InChI

InChI=1S/C26H38N4O3S.ClH/c1-34-8-7-21(27)24(32)28-16-23(31)29-22(12-17-5-3-2-4-6-17)25(33)30-26-13-18-9-19(14-26)11-20(10-18)15-26;/h2-6,18-22H,7-16,27H2,1H3,(H,28,32)(H,29,31)(H,30,33);1H