Chemical Components in the PDB

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YPZ : Summary

Code

YPZ

One-letter code

Y

Molecule name

3-[(3Z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-L-alanine

Systematic names

ProgramVersionName
ACDLabs 12.01 3-[(3Z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-L-alanine
OpenEye OEToolkits 1.7.6 (2S)-2-azanyl-3-[(3Z)-4-oxidanyl-6-oxidanylidene-3-(phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]propanoic acid

Formula

C15 H15 N3 O4

Formal charge

0

Molecular weight

301.297 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C2C=C(O)\C(=N/Nc1ccccc1)C=C2CC(C(=O)O)N
SMILES CACTVS 3.370 N[CH](CC1=CC(=NNc2ccccc2)C(=CC1=O)O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)NN=C2C=C(C(=O)C=C2O)CC(C(=O)O)N
Canonical SMILES CACTVS 3.370 N[C@@H](CC1=C/C(=N/Nc2ccccc2)C(=CC1=O)O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)N/N=C\2/C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C15H15N3O4/c16-11(15(21)22)6-9-7-12(14(20)8-13(9)19)18-17-10-4-2-1-3-5-10/h1-5,7-8,11,17,20H,6,16H2,(H,21,22)/b18-12-/t11-/m0/s1

IUPAC InChI key

HWMLKSHHDSRXER-YXQUIRMVSA-N
YPZ

wwPDB Information

Atom count

37 (22 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

TYR

Defined at

2013-04-12

Last modified at

2013-04-19

Status

Released

Obsoleted

Not Assigned