ILV

(2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one

Created:	2015-03-19
Last modified:	2021-03-01

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2 entries where ILV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	2
Bond Count	47
Aromatic Bond Count	10

2D diagram of ILV

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Chemical Component Summary
Name	(2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one
Synonyms	Indolactam V
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₇ H₂₃ N₃ O₂
Molecular Weight	301.383
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C1N(c3c2c(CC(NC1=O)CO)cnc2ccc3)C)C
SMILES	CACTVS	3.385	CC(C)[CH]1N(C)c2cccc3[nH]cc(C[CH](CO)NC1=O)c23
SMILES	OpenEye OEToolkits	1.9.2	CC(C)C1C(=O)NC(Cc2c[nH]c3c2c(ccc3)N1C)CO
Canonical SMILES	CACTVS	3.385	CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
Canonical SMILES	OpenEye OEToolkits	1.9.2	CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3)N1C)CO
InChI	InChI	1.03	InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
InChIKey	InChI	1.03	LUZOFMGZMUZSSK-LRDDRELGSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL27266
PubChem	105000
ChEMBL	CHEMBL27266
CCDC/CSD	YIFFAX

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