L2T

4-(benzyloxy)-N-[(1S,2R)-2-hydroxy-1-({(1S)-1-[(2-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)propyl]benzamide

Created:	2010-10-19
Last modified:	2011-06-04

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1 entries where L2T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	83
Chiral Atom Count	3
Bond Count	86
Aromatic Bond Count	24

2D diagram of L2T

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Chemical Component Summary
Name	4-(benzyloxy)-N-[(1S,2R)-2-hydroxy-1-({(1S)-1-[(2-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)propyl]benzamide
Systematic Name (OpenEye OEToolkits)	N-[(2S,3R)-3-hydroxy-1-[[(2S)-1-[(2-methylphenyl)methylamino]-1-oxo-4-phenyl-butan-2-yl]amino]-1-oxo-butan-2-yl]-4-phenylmethoxy-benzamide
Formula	C₃₆ H₃₉ N₃ O₅
Molecular Weight	593.712
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCc1ccccc1C)C(NC(=O)C(NC(=O)c3ccc(OCc2ccccc2)cc3)C(O)C)CCc4ccccc4
SMILES	CACTVS	3.370	C[CH](O)[CH](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N[CH](CCc3ccccc3)C(=O)NCc4ccccc4C
SMILES	OpenEye OEToolkits	1.7.0	Cc1ccccc1CNC(=O)C(CCc2ccccc2)NC(=O)C(C(C)O)NC(=O)c3ccc(cc3)OCc4ccccc4
Canonical SMILES	CACTVS	3.370	C[C@@H](O)[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCc3ccccc3)C(=O)NCc4ccccc4C
Canonical SMILES	OpenEye OEToolkits	1.7.0	Cc1ccccc1CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(cc3)OCc4ccccc4
InChI	InChI	1.03	InChI=1S/C36H39N3O5/c1-25-11-9-10-16-30(25)23-37-35(42)32(22-17-27-12-5-3-6-13-27)38-36(43)33(26(2)40)39-34(41)29-18-20-31(21-19-29)44-24-28-14-7-4-8-15-28/h3-16,18-21,26,32-33,40H,17,22-24H2,1-2H3,(H,37,42)(H,38,43)(H,39,41)/t26-,32+,33+/m1/s1
InChIKey	InChI	1.03	PXUPYVNAOYVXDS-DJDPXSJISA-N

Related Resource References

Resource Name	Reference
PubChem	51371087

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.