OZH

(2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid

Created: 2020-04-09
Last modified:  2021-04-21

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Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count2
Bond Count68
Aromatic Bond Count12
2D diagram of OZH
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Chemical Component Summary

Name(2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid
Systematic Name (OpenEye OEToolkits)(2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid
FormulaC24 H32 N3 O7 P
Molecular Weight505.501
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC(C)C[CH](NC(=O)CN[P](O)(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O)=O
SMILESOpenEye OEToolkits2.0.7CC(C)CC(C(=O)O)NC(=O)CNP(=O)(C(Cc1ccccc1)NC(=O)OCc2ccccc2)O
Canonical SMILESCACTVS3.385 CC(C)C[C@H](NC(=O)CN[P](O)(=O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O
InChIInChI1.03 InChI=1S/C24H32N3O7P/c1-17(2)13-20(23(29)30)26-21(28)15-25-35(32,33)22(14-18-9-5-3-6-10-18)27-24(31)34-16-19-11-7-4-8-12-19/h3-12,17,20,22H,13-16H2,1-2H3,(H,26,28)(H,27,31)(H,29,30)(H2,25,32,33)/t20-,22-/m0/s1
InChIKeyInChI1.03 YJSHTZYDPJRJOL-UNMCSNQZSA-N

Related Resource References

Resource NameReference
PubChem 155899132