A1JNO

[(2~{S},3~{S})-3-[2-(1~{H}-indol-3-yl)ethanoylamino]-4-oxidanylidene-butan-2-yl]sulfamic acid

Created:	2025-08-22
Last modified:	2026-02-18

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1 entries where A1JNO 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	41
Aromatic Bond Count	10

2D diagram of A1JNO

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Chemical Component Summary
Name	[(2~{S},3~{S})-3-[2-(1~{H}-indol-3-yl)ethanoylamino]-4-oxidanylidene-butan-2-yl]sulfamic acid
Systematic Name (OpenEye OEToolkits)	[(2~{S},3~{S})-3-[2-(1~{H}-indol-3-yl)ethanoylamino]-4-oxidanylidene-butan-2-yl]sulfamic acid
Formula	C₁₄ H₁₇ N₃ O₅ S
Molecular Weight	339.367
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH](N[S](O)(=O)=O)[CH](NC(=O)Cc1c[nH]c2ccccc12)C=O
SMILES	OpenEye OEToolkits	2.0.7	CC(C(C=O)NC(=O)Cc1c[nH]c2c1cccc2)NS(=O)(=O)O
Canonical SMILES	CACTVS	3.385	C[C@H](N[S](O)(=O)=O)[C@H](NC(=O)Cc1c[nH]c2ccccc12)C=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H]([C@@H](C=O)NC(=O)Cc1c[nH]c2c1cccc2)NS(=O)(=O)O
InChI	InChI	1.06	InChI=1S/C14H17N3O5S/c1-9(17-23(20,21)22)13(8-18)16-14(19)6-10-7-15-12-5-3-2-4-11(10)12/h2-5,7-9,13,15,17H,6H2,1H3,(H,16,19)(H,20,21,22)/t9-,13+/m0/s1
InChIKey	InChI	1.06	FEVJVGGIZVCVCL-TVQRCGJNSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.