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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > leucine derivative > sodium;(2s)-1-hydroxy-2-[[(2s)-4-methyl-2-[(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]pentanoyl]amino]-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > amino-acid derivative > leucine derivative > sodium;(2s)-1-hydroxy-2-[[(2s)-4-methyl-2-[(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]pentanoyl]amino]-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonate

Preferred term

sodium;(2s)-1-hydroxy-2-[[(2s)-4-methyl-2-[(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]pentanoyl]amino]-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C20H35N4O10S2.Na

has_role

inchi

  • InChI=1S/C20H36N4O10S2.Na/c1-12(2)10-15(23-20(28)34-14-5-8-24(9-6-14)35(3,29)30)18(26)22-16(19(27)36(31,32)33)11-13-4-7-21-17(13)25;/h12-16,19,27H,4-11H2,1-3H3,(H,21,25)(H,22,26)(H,23,28)(H,31,32,33);/q;+1/p-1/t13-,15-,16-,19?;/m0./s1

inchikey

  • OXYUFTIDAUNJGP-KEWDJMNSSA-M

mass

  • 578.630

monoisotopicmass

  • 578.16923

smiles

  • [Na+].O=S(=O)(C([C@H](C[C@H]1C(NCC1)=O)NC([C@H](CC(C)C)NC(=O)OC2CCN(CC2)S(C)(=O)=O)=O)O)[O-]

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:149931

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