16E

N-(16-Carboxyhexadecanoyl)-L-glutamic acid

Created:	2012-02-20
Last modified:	2024-09-27

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2 entries where 16E is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	66
Chiral Atom Count	1
Bond Count	65
Aromatic Bond Count	0

2D diagram of 16E

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Chemical Component Summary
Name	N-(16-Carboxyhexadecanoyl)-L-glutamic acid
Systematic Name (OpenEye OEToolkits)	(2S)-2-[(16-oxidanyl-16-oxidanylidene-hexadecanoyl)amino]pentanedioic acid
Formula	C₂₁ H₃₇ N O₇
Molecular Weight	415.521
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC(C(=O)O)CCC(=O)O)CCCCCCCCCCCCCCC(=O)O
SMILES	CACTVS	3.385	OC(=O)CCCCCCCCCCCCCCC(=O)N[CH](CCC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.9.2	C(CCCCCCCC(=O)O)CCCCCCC(=O)NC(CCC(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	C(CCCCCCCC(=O)O)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C21H37NO7/c23-18(22-17(21(28)29)15-16-20(26)27)13-11-9-7-5-3-1-2-4-6-8-10-12-14-19(24)25/h17H,1-16H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)/t17-/m0/s1
InChIKey	InChI	1.03	SGIVALYPXQHYAY-KRWDZBQOSA-N

Related Resource References

Resource Name	Reference
PubChem	90819887

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