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

Systemtic Name: N-[2-[[1-(2-adamantylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-4-methylsulfanyl-2-(2-phenylazanylethanoylamino)butanamide Openeye Name: N-[2-[[2-(2-adamantylamino)-1-benzyl-2-oxo-ethyl]amino]-2-oxo-ethyl]-2-[(2-anilinoacetyl)amino]-4-methylsulfanyl-butanamide CAS Name: N-[2-[[1-(2-adamantylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-[(2-anilino-1-oxoethyl)amino]-4-(methylthio)butanamide IUPAC Name: N-[2-[[1-(2-adamantylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-[(2-anilinoacetyl)amino]-4-methylsulfanylbutanamide Traditional Name: N-[2-[[2-(2-adamantylamino)-1-benzyl-2-keto-ethyl]amino]-2-keto-ethyl]-2-[(2-anilinoacetyl)amino]-4-(methylthio)butyramide Formula: C34H45N5O4S MolecularWeight: 619.8172

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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)NC(=O)CNC5=CC=CC=C5

Isomeric SMILES

CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC2C3CC4CC(C3)CC2C4)NC(=O)CNC5=CC=CC=C5

InChI

InChI=1S/C34H45N5O4S/c1-44-13-12-28(37-30(40)20-35-27-10-6-3-7-11-27)33(42)36-21-31(41)38-29(19-22-8-4-2-5-9-22)34(43)39-32-25-15-23-14-24(17-25)18-26(32)16-23/h2-11,23-26,28-29,32,35H,12-21H2,1H3,(H,36,42)(H,37,40)(H,38,41)(H,39,43)