3B2

(14R)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate


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Chemical Component Summary

Name(14R)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate
Identifiers[(3R)-2,2-dimethyl-4-[[3-[2-[2-[[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfanylmethyl]-1,2-oxazol-3-yl]methylsulfanyl]ethanoylamino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
FormulaC23 H36 N5 O10 P S2
Molecular Weight637.663
TypeNON-POLYMER
Isomeric SMILESCc1cc(no1)CSCc2cc(no2)CSCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O
InChIInChI=1S/C23H36N5O10PS2/c1-15-8-16(27-37-15)10-40-12-18-9-17(28-38-18)11-41-13-20(30)25-7-6-24-19(29)4-5-26-22(32)21(31)23(2,3)14-36-39(33,34)35/h8-9,21,31H,4-7,10-14H2,1-3H3,(H,24,29)(H,25,30)(H,26,32)(H2,33,34,35)/t21-/m0/s1
InChIKeyNHKWOPAZLQMZIQ-NRFANRHFSA-N

Chemical Details

Formal Charge0
Atom Count77
Chiral Atom Count1
Bond Count78
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 126961710