KS9

(phenylmethyl) N-[(3S,4S)-4-methyl-2-oxidanylidene-hexan-3-yl]carbamate

Created:	2022-06-07
Last modified:	2024-09-27

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1 entries where KS9 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	2
Bond Count	40
Aromatic Bond Count	6

2D diagram of KS9

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Chemical Component Summary
Name	(phenylmethyl) N-[(3S,4S)-4-methyl-2-oxidanylidene-hexan-3-yl]carbamate
Synonyms	benzyl ((3S,4R)-1-chloro-4-methyl-2-oxohexan-3-yl)carb (reacted form of)
Systematic Name (OpenEye OEToolkits)	(phenylmethyl) ~{N}-[(3~{S},4~{S})-4-methyl-2-oxidanylidene-hexan-3-yl]carbamate
Formula	C₁₅ H₂₁ N O₃
Molecular Weight	263.332
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC[CH](C)[CH](NC(=O)OCc1ccccc1)C(C)=O
SMILES	OpenEye OEToolkits	2.0.7	CCC(C)C(C(=O)C)NC(=O)OCc1ccccc1
Canonical SMILES	CACTVS	3.385	CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(C)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC[C@H](C)[C@@H](C(=O)C)NC(=O)OCc1ccccc1
InChI	InChI	1.06	InChI=1S/C15H21NO3/c1-4-11(2)14(12(3)17)16-15(18)19-10-13-8-6-5-7-9-13/h5-9,11,14H,4,10H2,1-3H3,(H,16,18)/t11-,14-/m0/s1
InChIKey	InChI	1.06	TXYUIZZOGVQKQF-FZMZJTMJSA-N

Related Resource References

Resource Name	Reference
PubChem	167560866

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