Chemical Components in the PDB

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FBO : Summary

Code

FBO

One-letter code

X

Molecule name

L-phenylalanyl-N6-[(benzyloxy)carbonyl]-N1-hydroxy-L-lysinamide

Systematic names

ProgramVersionName
ACDLabs 12.01 L-phenylalanyl-N~6~-[(benzyloxy)carbonyl]-N-hydroxy-L-lysinamide
OpenEye OEToolkits 1.7.0 phenylmethyl N-[(5S)-5-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-6-(hydroxyamino)-6-oxo-hexyl]carbamate

Formula

C23 H30 N4 O5

Formal charge

0

Molecular weight

442.508 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(NO)C(NC(=O)C(N)Cc1ccccc1)CCCCNC(=O)OCc2ccccc2
SMILES CACTVS 3.370 N[CH](Cc1ccccc1)C(=O)N[CH](CCCCNC(=O)OCc2ccccc2)C(=O)NO
SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)CC(C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)NO)N
Canonical SMILES CACTVS 3.370 N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)NO
Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)NO)N

IUPAC InChI

InChI=1S/C23H30N4O5/c24-19(15-17-9-3-1-4-10-17)21(28)26-20(22(29)27-31)13-7-8-14-25-23(30)32-16-18-11-5-2-6-12-18/h1-6,9-12,19-20,31H,7-8,13-16,24H2,(H,25,30)(H,26,28)(H,27,29)/t19-,20-/m0/s1

IUPAC InChI key

YGHNIVJEKSKDJB-PMACEKPBSA-N
FBO

wwPDB Information

Atom count

62 (32 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-01-24

Last modified at

2011-07-22

Status

Released

Obsoleted

Not Assigned