S1F

(1S,2S)-1-{4-[(methoxycarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid

Created:	2022-06-23
Last modified:	2022-07-13

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1 entries where S1F is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	2
Bond Count	46
Aromatic Bond Count	12

2D diagram of S1F

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Chemical Component Summary
Name	(1S,2S)-1-{4-[(methoxycarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(1~{S},2~{S})-1-[[4-(methoxycarbonylamino)phenyl]carbonylamino]-2,3-dihydro-1~{H}-indene-2-carboxylic acid
Formula	C₁₉ H₁₈ N₂ O₅
Molecular Weight	354.357
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OC)Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O
SMILES	CACTVS	3.385	COC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](Cc3ccccc23)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	COC(=O)Nc1ccc(cc1)C(=O)NC2c3ccccc3CC2C(=O)O
Canonical SMILES	CACTVS	3.385	COC(=O)Nc1ccc(cc1)C(=O)N[C@H]2[C@H](Cc3ccccc23)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	COC(=O)Nc1ccc(cc1)C(=O)N[C@@H]2c3ccccc3C[C@@H]2C(=O)O
InChI	InChI	1.06	InChI=1S/C19H18N2O5/c1-26-19(25)20-13-8-6-11(7-9-13)17(22)21-16-14-5-3-2-4-12(14)10-15(16)18(23)24/h2-9,15-16H,10H2,1H3,(H,20,25)(H,21,22)(H,23,24)/t15-,16+/m0/s1
InChIKey	InChI	1.06	QZUXMBWCGJKNAA-JKSUJKDBSA-N

Related Resource References

Resource Name	Reference
PubChem	164513221

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