KPI

(2S)-2-amino-6-[(1-hydroxy-1-oxo-propan-2-ylidene)amino]hexanoic acid

Created:	2008-07-25
Last modified:	2024-09-27

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91 entries where KPI is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	1
Bond Count	30
Aromatic Bond Count	0

2D diagram of KPI

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Chemical Component Summary
Name	(2S)-2-amino-6-[(1-hydroxy-1-oxo-propan-2-ylidene)amino]hexanoic acid
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-6-[(E)-(1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]hexanoic acid
Formula	C₉ H₁₆ N₂ O₄
Molecular Weight	216.234
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(C(N)CCCC\N=C(/C)C(O)=O)=O
SMILES	CACTVS	3.385	CC(=NCCCC[CH](N)C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC(=NCCCCC(C(=O)O)N)C(=O)O
Canonical SMILES	CACTVS	3.385	CC(=NCCCC[C@H](N)C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O
InChI	InChI	1.03	InChI=1S/C9H16N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,12,13)(H,14,15)/b11-6+/t7-/m0/s1
InChIKey	InChI	1.03	JXBWDTJQFXOTMZ-KEXZDQNZSA-N

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