IZF

METHYL 2-{[5-({3-CHLORO-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-N-(PHENYLSULFONYL)-L-PHENYLALANYL}AMINO)PENTYL]OXY}-6-HYDROXYBENZOATE


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Chemical Component Summary

NameMETHYL 2-{[5-({3-CHLORO-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-N-(PHENYLSULFONYL)-L-PHENYLALANYL}AMINO)PENTYL]OXY}-6-HYDROXYBENZOATE
Identifiersmethyl 2-[5-[[(2S)-3-[3-chloro-4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]-2-(phenylsulfonylamino)propanoyl]amino]pentoxy]-6-hydroxy-benzoate
FormulaC31 H34 Cl N3 O10 S2
Molecular Weight708.199
TypeNON-POLYMER
Isomeric SMILESCOC(=O)c1c(cccc1OCCCCCNC(=O)[C@H](Cc2ccc(c(c2)Cl)[C@@H]3CC(=O)NS3(=O)=O)NS(=O)(=O)c4ccccc4)O
InChIInChI=1S/C31H34ClN3O10S2/c1-44-31(39)29-25(36)11-8-12-26(29)45-16-7-3-6-15-33-30(38)24(34-46(40,41)21-9-4-2-5-10-21)18-20-13-14-22(23(32)17-20)27-19-28(37)35-47(27,42)43/h2,4-5,8-14,17,24,27,34,36H,3,6-7,15-16,18-19H2,1H3,(H,33,38)(H,35,37)/t24-,27-/m0/s1
InChIKeyLZJDVHWALQMKBR-IGKIAQTJSA-N

Chemical Details

Formal Charge0
Atom Count81
Chiral Atom Count2
Bond Count84
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 9549202