N-[1-[5-[[2-[(2,2-dimethyl-3-sulfanyl-propanoyl)amino]-3-sulfanyl-propanoyl]amino]pentylamino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-2,2-dimethyl-3-sulfanyl-propanamide

Systemtic Name: N-[1-[5-[[2-[(2,2-dimethyl-3-sulfanyl-propanoyl)amino]-3-sulfanyl-propanoyl]amino]pentylamino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-2,2-dimethyl-3-sulfanyl-propanamide Openeye Name: N-[2-[5-[[2-[(2,2-dimethyl-3-sulfanyl-propanoyl)amino]-3-sulfanyl-propanoyl]amino]pentylamino]-2-oxo-1-(sulfanylmethyl)ethyl]-2,2-dimethyl-3-sulfanyl-propanamide CAS Name: 3-mercapto-N-[3-mercapto-1-[5-[[3-mercapto-2-[(3-mercapto-2,2-dimethyl-1-oxopropyl)amino]-1-oxopropyl]amino]pentylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide IUPAC Name: N-[1-[5-[[2-[(2,2-dimethyl-3-sulfanylpropanoyl)amino]-3-sulfanylpropanoyl]amino]pentylamino]-1-oxo-3-sulfanylpropan-2-yl]-2,2-dimethyl-3-sulfanylpropanamide Traditional Name: N-[2-keto-2-[5-[[3-mercapto-2-[(3-mercapto-2,2-dimethyl-propanoyl)amino]propanoyl]amino]pentylamino]-1-(mercaptomethyl)ethyl]-3-mercapto-2,2-dimethyl-propionamide Formula: C21H40N4O4S4 MolecularWeight: 540.8267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS)C(=O)NC(CS)C(=O)NCCCCCNC(=O)C(CS)NC(=O)C(C)(C)CS

Isomeric SMILES

CC(C)(CS)C(=O)NC(CS)C(=O)NCCCCCNC(=O)C(CS)NC(=O)C(C)(C)CS

InChI

InChI=1S/C21H40N4O4S4/c1-20(2,12-32)18(28)24-14(10-30)16(26)22-8-6-5-7-9-23-17(27)15(11-31)25-19(29)21(3,4)13-33/h14-15,30-33H,5-13H2,1-4H3,(H,22,26)(H,23,27)(H,24,28)(H,25,29)