ZYG

9-{hydroxy[(5S,6R)-6-hydroxy-6-{[(1S)-3-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)hexyl]amino}-9-oxononanoic acid


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Chemical Component Summary

Name9-{hydroxy[(5S,6R)-6-hydroxy-6-{[(1S)-3-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)hexyl]amino}-9-oxononanoic acid
Identifiers9-[hydroxy-[(5S,6R)-6-hydroxy-6-[(2S)-4-[[(3S)-1-hydroxy-2-oxo-azepan-3-yl]amino]-4-oxo-butan-2-yl]oxy-5-[[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonylamino]hexyl]amino]-9-oxo-nonanoic acid
FormulaC35 H53 N5 O12
Molecular Weight735.822
TypeNON-POLYMER
Isomeric SMILESC[C@@H](CC(=O)N[C@H]1CCCCN(C1=O)O)O[C@H]([C@H](CCCCN(C(=O)CCCCCCCC(=O)O)O)NC(=O)[C@@H]2COC(=N2)c3ccccc3O)O
InChIInChI=1S/C35H53N5O12/c1-23(21-29(42)36-25-14-9-12-20-40(50)34(25)47)52-35(48)26(37-32(46)27-22-51-33(38-27)24-13-7-8-16-28(24)41)15-10-11-19-39(49)30(43)17-5-3-2-4-6-18-31(44)45/h7-8,13,16,23,25-27,35,41,48-50H,2-6,9-12,14-15,17-22H2,1H3,(H,36,42)(H,37,46)(H,44,45)/t23-,25-,26-,27-,35+/m0/s1
InChIKeyIAYIKQLBDQWIRR-QMSOLXAJSA-N

Chemical Details

Formal Charge0
Atom Count105
Chiral Atom Count5
Bond Count107
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 137350224