8P6

Hapalindole U

Created:	2017-08-23
Last modified:	2018-07-18

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1 entries where 8P6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	4
Bond Count	50
Aromatic Bond Count	10

2D diagram of 8P6

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Chemical Component Summary
Name	Hapalindole U
Formula	C₂₁ H₂₄ N₂
Molecular Weight	304.429
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC1(C)[CH]2CC[C](C)(C=C)[CH]([N+]#[C-])[CH]2c3c[nH]c4cccc1c34
SMILES	OpenEye OEToolkits	2.0.6	CC1(c2cccc3c2c(c[nH]3)C4C1CCC(C4[N+]#[C-])(C)C=C)C
Canonical SMILES	CACTVS	3.385	CC1(C)[C@H]2CC[C@](C)(C=C)[C@H]([N+]#[C-])[C@@H]2c3c[nH]c4cccc1c34
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)C=C
InChI	InChI	1.03	InChI=1S/C21H24N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3/h6-9,12,15,18-19,23H,1,10-11H2,2-4H3/t15-,18+,19+,21-/m0/s1
InChIKey	InChI	1.03	SLUFHMQYBPOTFZ-ZRRCRCOKSA-N

Related Resource References

Resource Name	Reference
PubChem	16069589
ChEMBL	CHEMBL2071364
ChEBI	CHEBI:141613
CCDC/CSD	KIBHAF

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