FGY

N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide

Created: 2018-03-30
Last modified:  2018-11-07

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Chemical Details

Formal Charge0
Atom Count73
Chiral Atom Count2
Bond Count74
Aromatic Bond Count12
2D diagram of FGY
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Chemical Component Summary

NameN-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide
Systematic Name (OpenEye OEToolkits)~{N}1-[(2~{S})-4-(2,2-dimethylpropylamino)-1,4-bis(oxidanylidene)-1-[[(2~{S})-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]amino]butan-2-yl]-~{N}4-oxidanyl-benzene-1,4-dicarboxamide
FormulaC27 H35 N5 O6
Molecular Weight525.597
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01C(C(NC(C(CC(=O)NCC(C)(C)C)NC(c1ccc(C(=O)NO)cc1)=O)=O)C)(NCc2ccccc2)=O
SMILESCACTVS3.385C[CH](NC(=O)[CH](CC(=O)NCC(C)(C)C)NC(=O)c1ccc(cc1)C(=O)NO)C(=O)NCc2ccccc2
SMILESOpenEye OEToolkits2.0.6CC(C(=O)NCc1ccccc1)NC(=O)C(CC(=O)NCC(C)(C)C)NC(=O)c2ccc(cc2)C(=O)NO
Canonical SMILESCACTVS3.385 C[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c1ccc(cc1)C(=O)NO)C(=O)NCc2ccccc2
Canonical SMILESOpenEye OEToolkits2.0.6 C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c2ccc(cc2)C(=O)NO
InChIInChI1.03 InChI=1S/C27H35N5O6/c1-17(23(34)28-15-18-8-6-5-7-9-18)30-26(37)21(14-22(33)29-16-27(2,3)4)31-24(35)19-10-12-20(13-11-19)25(36)32-38/h5-13,17,21,38H,14-16H2,1-4H3,(H,28,34)(H,29,33)(H,30,37)(H,31,35)(H,32,36)/t17-,21-/m0/s1
InChIKeyInChI1.03 CMINWSPSBRREEO-UWJYYQICSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4167623
PubChem 134823859
ChEMBL CHEMBL4167623