380

(2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE

Created:2004-07-06
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count1
Bond Count59
Aromatic Bond Count18
2D diagram of 380

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Chemical Component Summary

Name(2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE
Systematic Name (OpenEye OEToolkits)(2R)-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-dimethoxyphenyl)-N-(phenylmethyl)ethanamide
FormulaC24 H26 N4 O3
Molecular Weight418.488
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NCc1ccccc1)C(c2cc(OC)c(OC)cc2)Nc3ccc(C(=[N@H])N)cc3
SMILESCACTVS3.341COc1ccc(cc1OC)[CH](Nc2ccc(cc2)C(N)=N)C(=O)NCc3ccccc3
SMILESOpenEye OEToolkits1.5.0COc1ccc(cc1OC)C(C(=O)NCc2ccccc2)Nc3ccc(cc3)C(=N)N
Canonical SMILESCACTVS3.341 COc1ccc(cc1OC)[C@@H](Nc2ccc(cc2)C(N)=N)C(=O)NCc3ccccc3
Canonical SMILESOpenEye OEToolkits1.5.0 COc1ccc(cc1OC)[C@H](C(=O)NCc2ccccc2)Nc3ccc(cc3)C(=N)N
InChIInChI1.03 InChI=1S/C24H26N4O3/c1-30-20-13-10-18(14-21(20)31-2)22(24(29)27-15-16-6-4-3-5-7-16)28-19-11-8-17(9-12-19)23(25)26/h3-14,22,28H,15H2,1-2H3,(H3,25,26)(H,27,29)/t22-/m1/s1
InChIKeyInChI1.03 BMQMRSICTKGCCO-JOCHJYFZSA-N

Related Resource References

Resource NameReference
PubChem 4369486