VTJ

compound

Created:	2023-03-31
Last modified:	2023-09-27

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3 entries where VTJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	65
Chiral Atom Count	1
Bond Count	70
Aromatic Bond Count	22

2D diagram of VTJ

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Chemical Component Summary
Name	compound
Formula	C₂₉ H₃₀ N₂ O₃ S
Molecular Weight	486.625
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[S](=O)(=O)c1cccc2[nH]c3c(CCCc4ccc(CN5CC[C](O)(C5)c6ccccc6)cc34)c12
SMILES	OpenEye OEToolkits	2.0.7	CS(=O)(=O)c1cccc2c1c3c([nH]2)-c4cc(ccc4CCC3)CN5CCC(C5)(c6ccccc6)O
Canonical SMILES	CACTVS	3.385	C[S](=O)(=O)c1cccc2[nH]c3c(CCCc4ccc(CN5CC[C@@](O)(C5)c6ccccc6)cc34)c12
Canonical SMILES	OpenEye OEToolkits	2.0.7	CS(=O)(=O)c1cccc2c1c3c([nH]2)-c4cc(ccc4CCC3)CN5CC[C@@](C5)(c6ccccc6)O
InChI	InChI	1.06	InChI=1S/C29H30N2O3S/c1-35(33,34)26-12-6-11-25-27(26)23-10-5-7-21-14-13-20(17-24(21)28(23)30-25)18-31-16-15-29(32,19-31)22-8-3-2-4-9-22/h2-4,6,8-9,11-14,17,30,32H,5,7,10,15-16,18-19H2,1H3/t29-/m1/s1
InChIKey	InChI	1.06	DQCBLCPTXXGKPW-GDLZYMKVSA-N

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