(2S)-2-azanyl-4-methylsulfanyl-N-[2-[[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[[2-oxidanylidene-2-(2-phenylhydrazinyl)ethyl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]butanamide

Systemtic Name: (2S)-2-azanyl-4-methylsulfanyl-N-[2-[[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[[2-oxidanylidene-2-(2-phenylhydrazinyl)ethyl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]butanamide Openeye Name: (2S)-2-amino-4-methylsulfanyl-N-[2-[[(1S)-3-methylsulfanyl-1-[[2-oxo-2-(2-phenylhydrazino)ethyl]carbamoyl]propyl]amino]-2-oxo-ethyl]butanamide CAS Name: (2S)-2-amino-4-(methylthio)-N-[2-[[(2S)-4-(methylthio)-1-oxo-1-[[2-oxo-2-(phenylhydrazo)ethyl]amino]butan-2-yl]amino]-2-oxoethyl]butanamide IUPAC Name: (2S)-2-amino-4-methylsulfanyl-N-[2-[[(2S)-4-methylsulfanyl-1-oxo-1-[[2-oxo-2-(2-phenylhydrazinyl)ethyl]amino]butan-2-yl]amino]-2-oxoethyl]butanamide Traditional Name: (2S)-2-amino-N-[2-keto-2-[[(1S)-1-[[2-keto-2-(N'-phenylhydrazino)ethyl]carbamoyl]-3-(methylthio)propyl]amino]ethyl]-4-(methylthio)butyramide Formula: C20H32N6O4S2 MolecularWeight: 484.63588

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(=O)NC(CCSC)C(=O)NCC(=O)NNC1=CC=CC=C1)N

Isomeric SMILES

CSCC[C@@H](C(=O)NCC(=O)N[C@@H](CCSC)C(=O)NCC(=O)NNC1=CC=CC=C1)N

InChI

InChI=1S/C20H32N6O4S2/c1-31-10-8-15(21)19(29)22-12-17(27)24-16(9-11-32-2)20(30)23-13-18(28)26-25-14-6-4-3-5-7-14/h3-7,15-16,25H,8-13,21H2,1-2H3,(H,22,29)(H,23,30)(H,24,27)(H,26,28)/t15-,16-/m0/s1