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ZFB : Summary

Code

ZFB

One-letter code

X

Molecule name

(3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-2-OXO-4-PHENYLBUTANE-1-DIAZONIUM

Systematic names

ProgramVersionName
ACDLabs 10.04 (3R)-3-{[(benzyloxy)carbonyl]amino}-2-oxo-4-phenylbutane-1-diazonium
OpenEye OEToolkits 1.5.0 (3R)-2-oxo-4-phenyl-3-phenylmethoxycarbonylamino-butane-1-diazonium

Formula

C18 H18 N3 O3

Formal charge

1

Molecular weight

324.354 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 N#[N+]CC(=O)C(NC(=O)OCc1ccccc1)Cc2ccccc2
SMILES CACTVS 3.385 O=C(N[CH](Cc1ccccc1)C(=O)C[N+]#N)OCc2ccccc2
SMILES OpenEye OEToolkits 1.7.5 c1ccc(cc1)CC(C(=O)C[N+]#N)NC(=O)OCc2ccccc2
Canonical SMILES CACTVS 3.385 O=C(N[C@H](Cc1ccccc1)C(=O)C[N+]#N)OCc2ccccc2
Canonical SMILES OpenEye OEToolkits 1.7.5 c1ccc(cc1)C[C@H](C(=O)C[N+]#N)NC(=O)OCc2ccccc2

IUPAC InChI

InChI=1S/C18H17N3O3/c19-20-12-17(22)16(11-14-7-3-1-4-8-14)21-18(23)24-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2/p+1/t16-/m1/s1

IUPAC InChI key

VLIGBVLLNSWVMI-MRXNPFEDSA-O
ZFB

wwPDB Information

Atom count

42 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

UNK

Defined at

2003-07-07

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned