Chemical Components in the PDB

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INF : Summary

Code

INF

One-letter code

X

Molecule name

D-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-(hydroxycarbamoyl)-D-phenylalanine
OpenEye OEToolkits 1.5.0 (2R)-2-(hydroxycarbamoylamino)-3-phenyl-propanoic acid

Formula

C10 H12 N2 O4

Formal charge

0

Molecular weight

224.213 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(NC(=O)NO)Cc1ccccc1
SMILES CACTVS 3.341 ONC(=O)N[CH](Cc1ccccc1)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CC(C(=O)O)NC(=O)NO
Canonical SMILES CACTVS 3.341 ONC(=O)N[C@H](Cc1ccccc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)C[C@H](C(=O)O)NC(=O)NO

IUPAC InChI

InChI=1S/C10H12N2O4/c13-9(14)8(11-10(15)12-16)6-7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H,13,14)(H2,11,12,15)/t8-/m1/s1

IUPAC InChI key

IOFPEOPOAMOMBE-MRVPVSSYSA-N
INF

wwPDB Information

Atom count

28 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-11-17

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned