GHX

(phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate

Created: 2012-08-13
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count3
Bond Count63
Aromatic Bond Count12
2D diagram of GHX
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Chemical Component Summary

Name(phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
Systematic Name (OpenEye OEToolkits)(phenylmethyl) ~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
FormulaC24 H29 N3 O5
Molecular Weight439.504
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385OC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CC(C(=O)NC(CC2CCNC2=O)CO)NC(=O)OCc3ccccc3
Canonical SMILESCACTVS3.385 OC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3
InChIInChI1.03 InChI=1S/C24H29N3O5/c28-15-20(14-19-11-12-25-22(19)29)26-23(30)21(13-17-7-3-1-4-8-17)27-24(31)32-16-18-9-5-2-6-10-18/h1-10,19-21,28H,11-16H2,(H,25,29)(H,26,30)(H,27,31)/t19-,20-,21-/m0/s1
InChIKeyInChI1.03 SDSQZWABGUFEMG-ACRUOGEOSA-N