IIL

ISO-ISOLEUCINE

Created:	1999-07-08
Last modified:	2024-09-27

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9 entries where IIL is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	2
Bond Count	21
Aromatic Bond Count	0

2D diagram of IIL

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Chemical Component Summary
Name	ISO-ISOLEUCINE
Synonyms	ALLO-ISOLEUCINE
Systematic Name (OpenEye OEToolkits)	(2S,3R)-2-amino-3-methyl-pentanoic acid
Formula	C₆ H₁₃ N O₂
Molecular Weight	131.173
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)C(C)CC
SMILES	CACTVS	3.341	CC[CH](C)[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCC(C)C(C(=O)O)N
Canonical SMILES	CACTVS	3.341	CC[C@@H](C)[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC[C@@H](C)[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1
InChIKey	InChI	1.03	AGPKZVBTJJNPAG-UHNVWZDZSA-N

Drug Info: DrugBank

DrugBank ID	DB01739
Name	L-alloisoleucine
Groups	experimental
Synonyms	(2S,3R)-2-amino-3-methylpentanoic acid allo-L-isoleucine Alloisoleucine L-alloisoleucine
Categories	Amino Acids Amino Acids, Branched-Chain Amino Acids, Peptides, and Proteins
CAS number	1509-34-8

Related Resource References

Resource Name	Reference
PubChem	99288, 6950182
ChEMBL	CHEMBL56053
ChEBI	CHEBI:43433, CHEBI:85338
CCDC/CSD	POXGAL, DAILEU01
COD	2102122

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