Chemical Components in the PDB

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OZH : Summary

Code

OZH

One-letter code

X

Molecule name

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

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid

Formula

C24 H32 N3 O7 P

Formal charge

0

Molecular weight

505.501 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)C[CH](NC(=O)CN[P](O)(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(C)CC(C(=O)O)NC(=O)CNP(=O)(C(Cc1ccccc1)NC(=O)OCc2ccccc2)O
Canonical SMILES CACTVS 3.385 CC(C)C[C@H](NC(=O)CN[P](O)(=O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O

IUPAC InChI

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

IUPAC InChI key

YJSHTZYDPJRJOL-UNMCSNQZSA-N
OZH

wwPDB Information

Atom count

67 (35 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-04-09

Last modified at

2021-04-16

Status

Released

Obsoleted

Not Assigned