96Z

beta-(1-azulenyl)-L-alanine

Created:	2017-04-26
Last modified:	2026-02-03

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1 entries where 96Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	1
Bond Count	30
Aromatic Bond Count	11

2D diagram of 96Z

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Chemical Component Summary
Name	beta-(1-azulenyl)-L-alanine
Synonyms	(2~{S})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-3-azulen-1-yl-propanoic acid
Formula	C₁₃ H₁₃ N O₂
Molecular Weight	215.248
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[CH](Cc1ccc2cccccc12)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc-2ccc(c2cc1)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	N[C@@H](Cc1ccc2cccccc12)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc-2ccc(c2cc1)C[C@@H](C(=O)O)N
InChI	InChI	1.06	InChI=1S/C13H13NO2/c14-12(13(15)16)8-10-7-6-9-4-2-1-3-5-11(9)10/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
InChIKey	InChI	1.06	OFJOITXZODXNIG-LBPRGKRZSA-N

Related Resource References

Resource Name	Reference
PubChem	137348792

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