5BX

(5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5H)-one

Created:	2015-09-03
Last modified:	2020-05-26

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3 entries where 5BX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	2
Bond Count	36
Aromatic Bond Count	10

2D diagram of 5BX

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Chemical Component Summary
Name	(5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5H)-one
Synonyms	Indolemycin; Indolmycin
Systematic Name (OpenEye OEToolkits)	(5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one
Formula	C₁₄ H₁₅ N₃ O₂
Molecular Weight	257.288
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CNC=1OC(C(N=1)=O)C(c2c3c(nc2)cccc3)C
SMILES	CACTVS	3.385	CNC1=NC(=O)[CH](O1)[CH](C)c2c[nH]c3ccccc23
SMILES	OpenEye OEToolkits	1.9.2	CC(c1c[nH]c2c1cccc2)C3C(=O)N=C(O3)NC
Canonical SMILES	CACTVS	3.385	CNC1=NC(=O)[C@@H](O1)[C@H](C)c2c[nH]c3ccccc23
Canonical SMILES	OpenEye OEToolkits	1.9.2	C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)NC
InChI	InChI	1.03	InChI=1S/C14H15N3O2/c1-8(12-13(18)17-14(15-2)19-12)10-7-16-11-6-4-3-5-9(10)11/h3-8,12,16H,1-2H3,(H,15,17,18)/t8-,12+/m1/s1
InChIKey	InChI	1.03	GNTVWGDQPXCYBV-PELKAZGASA-N

Related Resource References

Resource Name	Reference
PubChem	210263, 135417159
ChEMBL	CHEMBL417852
ChEBI	CHEBI:79394

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