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1ZN : Summary
Code
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1ZN
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One-letter code
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X
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Molecule name
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(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
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Systematic names
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Formula
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C20 H29 N O3
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Formal charge
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0
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Molecular weight
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331.449 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)C(C)C(N)/C=C/C(=C/C(C(OC)Cc1ccccc1)C)C |
SMILES
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CACTVS |
3.370 |
CO[CH](Cc1ccccc1)[CH](C)C=C(C)C=C[CH](N)[CH](C)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.0 |
CC(C=C(C)C=CC(C(C)C(=O)O)N)C(Cc1ccccc1)OC |
Canonical SMILES
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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
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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 |
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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 |
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wwPDB Information |
Atom count
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53 (24 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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PEPTIDE-LIKE
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Type code
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ATOMP
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2008-12-11
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Last modified at
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2023-11-03
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Status
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Released
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Obsoleted
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Not Assigned
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