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4IN : Summary
Code ![](/pdbe/static/images/help.png)
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4IN
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One-letter code ![](/pdbe/static/images/help.png)
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W
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Molecule name ![](/pdbe/static/images/help.png)
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4-AMINO-L-TRYPTOPHAN
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C11 H13 N3 O2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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219.24 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)C(N)Cc2c1c(cccc1nc2)N |
SMILES
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CACTVS |
3.370 |
N[CH](Cc1c[nH]c2cccc(N)c12)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.2 |
c1cc(c2c(c1)[nH]cc2CC(C(=O)O)N)N |
Canonical SMILES
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CACTVS |
3.370 |
N[C@@H](Cc1c[nH]c2cccc(N)c12)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.2 |
c1cc(c2c(c1)[nH]cc2C[C@@H](C(=O)O)N)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H13N3O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,12-13H2,(H,15,16)/t8-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | JUDQOTGDEFNIKF-QMMMGPOBSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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29 (16 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Amino Acid
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Type description ![](/pdbe/static/images/help.png)
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L-PEPTIDE LINKING
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Type code ![](/pdbe/static/images/help.png)
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ATOMP
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Is modified ![](/pdbe/static/images/help.png)
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Yes
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Standard parent ![](/pdbe/static/images/help.png)
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TRP
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Defined at ![](/pdbe/static/images/help.png)
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2003-04-15
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Last modified at ![](/pdbe/static/images/help.png)
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2023-11-03
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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