61P

2-amino-N'-{3-[(E)-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1H-indol-2-yl)propanehydrazide (non-preferred name)

Created: 2016-01-13
Last modified:  2019-09-04

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Chemical Details

Formal Charge0
Atom Count70
Chiral Atom Count1
Bond Count74
Aromatic Bond Count26
2D diagram of 61P
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Chemical Component Summary

Name2-amino-N'-{3-[(E)-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1H-indol-2-yl)propanehydrazide (non-preferred name)
Systematic Name (OpenEye OEToolkits)2-azanyl-~{N}-[[3-[(~{E})-[[(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]hydrazinylidene]methyl]phenyl]methylideneamino]-3-(1~{H}-indol-2-yl)propanamide
FormulaC30 H30 N8 O2
Molecular Weight534.612
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01C(=N\NC(C(N)Cc1nc2c(c1)cccc2)=O)\c3cc(ccc3)[C@H]=NNC(=O)C(N)Cc4cnc5c4cccc5
SMILESCACTVS3.385NC(Cc1[nH]c2ccccc2c1)C(=O)NN=Cc3cccc(C=NNC(=O)[CH](N)Cc4c[nH]c5ccccc45)c3
SMILESOpenEye OEToolkits2.0.4c1ccc2c(c1)cc([nH]2)CC(C(=O)NN=Cc3cccc(c3)C=NNC(=O)C(Cc4c[nH]c5c4cccc5)N)N
Canonical SMILESCACTVS3.385 NC(Cc1[nH]c2ccccc2c1)C(=O)N/N=C/c3cccc(\C=N\NC(=O)[C@@H](N)Cc4c[nH]c5ccccc45)c3
Canonical SMILESOpenEye OEToolkits2.0.4 c1ccc2c(c1)cc([nH]2)CC(C(=O)NN=Cc3cccc(c3)/C=N/NC(=O)[C@H](Cc4c[nH]c5c4cccc5)N)N
InChIInChI1.03 InChI=1S/C30H30N8O2/c31-25(14-22-18-33-28-11-4-2-9-24(22)28)29(39)37-34-16-19-6-5-7-20(12-19)17-35-38-30(40)26(32)15-23-13-21-8-1-3-10-27(21)36-23/h1-13,16-18,25-26,33,36H,14-15,31-32H2,(H,37,39)(H,38,40)/b34-16+,35-17?/t25-,26?/m0/s1
InChIKeyInChI1.03 ZUYUCFMTHKDHJX-JQHDDIPESA-N

Related Resource References

Resource NameReference
PubChem 137348419