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

Systemtic Name: N-[2-[[1-(2-adamantylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-2-azanyl-4-methylsulfanyl-butanamide Openeye Name: N-[2-[[2-(2-adamantylamino)-1-benzyl-2-oxo-ethyl]amino]-2-oxo-ethyl]-2-amino-4-methylsulfanyl-butanamide CAS Name: N-[2-[[1-(2-adamantylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-amino-4-(methylthio)butanamide IUPAC Name: N-[2-[[1-(2-adamantylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-amino-4-methylsulfanylbutanamide Traditional Name: N-[2-[[2-(2-adamantylamino)-1-benzyl-2-keto-ethyl]amino]-2-keto-ethyl]-2-amino-4-(methylthio)butyramide Formula: C26H38N4O3S MolecularWeight: 486.66992

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC2C3CC4CC(C3)CC2C4)N

Isomeric SMILES

CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC2C3CC4CC(C3)CC2C4)N

InChI

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