Chemical Components in the PDB

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1ZN : Summary

Code

1ZN

One-letter code

X

Molecule name

(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
OpenEye OEToolkits 1.7.0 (2S,3S,4E,8S,9S)-3-azanyl-9-methoxy-2,6,8-trimethyl-10-phenyl-deca-4,6-dienoic acid

Formula

C20 H29 N O3

Formal charge

0

Molecular weight

331.449 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(C)C(N)/C=C/C(=C/C(C(OC)Cc1ccccc1)C)C
SMILES CACTVS 3.370 CO[CH](Cc1ccccc1)[CH](C)C=C(C)C=C[CH](N)[CH](C)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 CC(C=C(C)C=CC(C(C)C(=O)O)N)C(Cc1ccccc1)OC
Canonical SMILES CACTVS 3.370 CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(C)\C=C\[C@H](N)[C@H](C)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C[C@@H](C=C(C)/C=C/[C@@H]([C@H](C)C(=O)O)N)[C@H](Cc1ccccc1)OC

IUPAC InChI

InChI=1S/C20H29NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-12,15-16,18-19H,13,21H2,1-4H3,(H,22,23)/b11-10+,14-12+/t15-,16-,18-,19-/m0/s1

IUPAC InChI key

HJVCHYDYCYBBQX-HLTLHRPFSA-N
1ZN

wwPDB Information

Atom count

53 (24 without Hydrogen)

Polymer type

Amino Acid

Type description

PEPTIDE-LIKE

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2008-12-11

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned