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VWP : Summary
Code ![](/pdbe/static/images/help.png)
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VWP
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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N~2~-{(2S)-1-[(naphthalen-1-yl)acetyl]-2,5-dihydro-1H-pyrrole-2-carbonyl}-L-lysyl-L-argininamide
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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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C29 H40 N8 O4
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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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564.679 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 |
C1(C=CCN1C(Cc2cccc3c2cccc3)=O)C(NC(C(=O)NC(C(=O)N)CCCNC(=N)\N)CCCCN)=O |
SMILES
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CACTVS |
3.385 |
NCCCC[CH](NC(=O)[CH]1C=CCN1C(=O)Cc2cccc3ccccc23)C(=O)N[CH](CCCNC(N)=N)C(N)=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)cccc2CC(=O)N3CC=CC3C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)N |
Canonical SMILES
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CACTVS |
3.385 |
NCCCC[C@H](NC(=O)[C@@H]1C=CCN1C(=O)Cc2cccc3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
[H]/N=C(/N)\NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C=CCN1C(=O)Cc2cccc3c2cccc3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C29H40N8O4/c30-15-4-3-12-23(27(40)35-22(26(31)39)13-6-16-34-29(32)33)36-28(41)24-14-7-17-37(24)25(38)18-20-10-5-9-19-8-1-2-11-21(19)20/h1-2,5,7-11,14,22-24H,3-4,6,12-13,15-18,30H2,(H2,31,39)(H,35,40)(H,36,41)(H4,32,33,34)/t22-,23-,24-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | FRFITSHXIRHPKA-HJOGWXRNSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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81 (41 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2020-09-17
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Last modified at ![](/pdbe/static/images/help.png)
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2021-04-09
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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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