IML

N-METHYL-ISOLEUCINE

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

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27 entries where IML is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	2
Bond Count	24
Aromatic Bond Count	0

2D diagram of IML

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Chemical Component Summary
Name	N-METHYL-ISOLEUCINE
Systematic Name (OpenEye OEToolkits)	(2S,3S)-3-methyl-2-methylamino-pentanoic acid
Formula	C₇ H₁₅ N O₂
Molecular Weight	145.199
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(NC)C(CC)C
SMILES	CACTVS	3.341	CC[CH](C)[CH](NC)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCC(C)C(C(=O)O)NC
Canonical SMILES	CACTVS	3.341	CC[C@H](C)[C@H](NC)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC[C@H](C)[C@@H](C(=O)O)NC
InChI	InChI	1.03	InChI=1S/C7H15NO2/c1-4-5(2)6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t5-,6-/m0/s1
InChIKey	InChI	1.03	KSPIYJQBLVDRRI-WDSKDSINSA-N

Related Resource References

Resource Name	Reference
PubChem	6932958, 5288628
ChEBI	CHEBI:43312

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