sodium 2-[[4-[(3-ethenylsulfonylpropanoylamino)methylcarbamoyl]-2-methyl-hexanoyl]amino]-2-methyl-propane-1-sulfonate

Systemtic Name: sodium 2-[[4-[(3-ethenylsulfonylpropanoylamino)methylcarbamoyl]-2-methyl-hexanoyl]amino]-2-methyl-propane-1-sulfonate Openeye Name: sodium 2-methyl-2-[[2-methyl-4-[(3-vinylsulfonylpropanoylamino)methylcarbamoyl]hexanoyl]amino]propane-1-sulfonate CAS Name: sodium 2-[[4-[[[(3-ethenylsulfonyl-1-oxopropyl)amino]methylamino]-oxomethyl]-2-methyl-1-oxohexyl]amino]-2-methyl-1-propanesulfonate IUPAC Name: sodium 2-[[4-[(3-ethenylsulfonylpropanoylamino)methylcarbamoyl]-2-methylhexanoyl]amino]-2-methylpropane-1-sulfonate Traditional Name: sodium 2-methyl-2-[[2-methyl-4-[(3-vinylsulfonylpropanoylamino)methylcarbamoyl]hexanoyl]amino]propane-1-sulfonate Formula: C18H32N3NaO8S2 MolecularWeight: 505.58175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)NC(C)(C)CS(=O)(=O)[O-])C(=O)NCNC(=O)CCS(=O)(=O)C=C.[Na+]

Isomeric SMILES

CCC(CC(C)C(=O)NC(C)(C)CS(=O)(=O)[O-])C(=O)NCNC(=O)CCS(=O)(=O)C=C.[Na+]

InChI

InChI=1S/C18H33N3O8S2.Na/c1-6-14(10-13(3)16(23)21-18(4,5)11-31(27,28)29)17(24)20-12-19-15(22)8-9-30(25,26)7-2;/h7,13-14H,2,6,8-12H2,1,3-5H3,(H,19,22)(H,20,24)(H,21,23)(H,27,28,29);/q;+1/p-1