NFF

(2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Created:	2010-06-28
Last modified:	2024-09-27

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4 entries where NFF is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	3
Bond Count	55
Aromatic Bond Count	11

2D diagram of NFF

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Chemical Component Summary
Name	(2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Synonyms	Nafcillin, bound form
Systematic Name (OpenEye OEToolkits)	(2R,4S)-2-[(1R)-1-[(2-ethoxynaphthalen-1-yl)carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula	C₂₁ H₂₄ N₂ O₅ S
Molecular Weight	416.491
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3c2ccccc2ccc3OCC
SMILES	CACTVS	3.370	CCOc1ccc2ccccc2c1C(=O)N[CH](C=O)[CH]3N[CH](C(O)=O)C(C)(C)S3
SMILES	OpenEye OEToolkits	1.7.6	CCOc1ccc2ccccc2c1C(=O)NC(C=O)C3NC(C(S3)(C)C)C(=O)O
Canonical SMILES	CACTVS	3.370	CCOc1ccc2ccccc2c1C(=O)N[C@H](C=O)[C@@H]3N[C@@H](C(O)=O)C(C)(C)S3
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCOc1ccc2ccccc2c1C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O
InChI	InChI	1.03	InChI=1S/C21H24N2O5S/c1-4-28-15-10-9-12-7-5-6-8-13(12)16(15)18(25)22-14(11-24)19-23-17(20(26)27)21(2,3)29-19/h5-11,14,17,19,23H,4H2,1-3H3,(H,22,25)(H,26,27)/t14-,17+,19-/m1/s1
InChIKey	InChI	1.03	XDLYHUOUOKHAMD-DKSSEZFCSA-N

Related Resource References

Resource Name	Reference
PubChem	137349797

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