L73

N-butylglycyl-4-tert-butyl-D-phenylalanyl-3-methoxy-N-methyl-L-phenylalaninamide

Created:2022-02-28
Last modified:  2022-10-05

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Chemical Details

Formal Charge0
Atom Count82
Chiral Atom Count2
Bond Count83
Aromatic Bond Count12
2D diagram of L73

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Chemical Component Summary

NameN-butylglycyl-4-tert-butyl-D-phenylalanyl-3-methoxy-N-methyl-L-phenylalaninamide
Systematic Name (OpenEye OEToolkits)(2~{R})-2-[2-(butylamino)ethanoylamino]-3-(4-~{tert}-butylphenyl)-~{N}-[(2~{S})-3-(3-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]propanamide
FormulaC30 H44 N4 O4
Molecular Weight524.695
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01COc1cc(CC(NC(=O)C(Cc2ccc(cc2)C(C)(C)C)NC(=O)CNCCCC)C(=O)NC)ccc1
SMILESCACTVS3.385CCCCNCC(=O)N[CH](Cc1ccc(cc1)C(C)(C)C)C(=O)N[CH](Cc2cccc(OC)c2)C(=O)NC
SMILESOpenEye OEToolkits2.0.7CCCCNCC(=O)NC(Cc1ccc(cc1)C(C)(C)C)C(=O)NC(Cc2cccc(c2)OC)C(=O)NC
Canonical SMILESCACTVS3.385 CCCCNCC(=O)N[C@H](Cc1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](Cc2cccc(OC)c2)C(=O)NC
Canonical SMILESOpenEye OEToolkits2.0.7 CCCCNCC(=O)N[C@H](Cc1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](Cc2cccc(c2)OC)C(=O)NC
InChIInChI1.03 InChI=1S/C30H44N4O4/c1-7-8-16-32-20-27(35)33-26(18-21-12-14-23(15-13-21)30(2,3)4)29(37)34-25(28(36)31-5)19-22-10-9-11-24(17-22)38-6/h9-15,17,25-26,32H,7-8,16,18-20H2,1-6H3,(H,31,36)(H,33,35)(H,34,37)/t25-,26+/m0/s1
InChIKeyInChI1.03 VWEUUVZMTLGMMV-IZZNHLLZSA-N

Related Resource References

Resource NameReference
PubChem 165180702