ZP6

(2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid

Created: 2020-08-07
Last modified:  2021-09-01

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Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count2
Bond Count55
Aromatic Bond Count12
2D diagram of ZP6

Chemical Component Summary

Name(2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid
Systematic Name (OpenEye OEToolkits)(2~{S})-3-phenyl-2-[[(2~{S})-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid
FormulaC22 H24 N2 O5
Molecular Weight396.436
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCN2C(=O)OCc3ccccc3
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CC(C(=O)O)NC(=O)C2CCCN2C(=O)OCc3ccccc3
Canonical SMILESCACTVS3.385 OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3
InChIInChI1.03 InChI=1S/C22H24N2O5/c25-20(23-18(21(26)27)14-16-8-3-1-4-9-16)19-12-7-13-24(19)22(28)29-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,23,25)(H,26,27)/t18-,19-/m0/s1
InChIKeyInChI1.03 GMUYSWQSSRROPG-OALUTQOASA-N

Related Resource References

Resource NameReference
PubChem 7078922