0P1/PRD_000328

Cbz-Ala-Ala-Leu(P)-(O)-Phe-OMe

Created: 2008-10-27
Last modified:  2020-06-05

0P1/PRD_000328 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1PPM.

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Chemical Details

Formal Charge0
Atom Count82
Chiral Atom Count4
Bond Count83
Aromatic Bond Count12
2D diagram of 0P1
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Chemical Component Summary

NameCbz-Ala-Ala-Leu(P)-(O)-Phe-OMe
SynonymsCbz-Ala-Ala-Leu(P)-(O)-Phe-OMe
Systematic Name (OpenEye OEToolkits)[(2S)-1-methoxy-1-oxo-3-phenyl-propan-2-yl]oxy-[(1R)-3-methyl-1-[[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]butyl]phosphinic acid
FormulaC29 H40 N3 O9 P
Molecular Weight605.616
TypePEPTIDE-LIKE

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(OC)C(OP(=O)(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C)C)CC(C)C)Cc2ccccc2
SMILESCACTVS3.370COC(=O)[CH](Cc1ccccc1)O[P](O)(=O)[CH](CC(C)C)NC(=O)[CH](C)NC(=O)[CH](C)NC(=O)OCc2ccccc2
SMILESOpenEye OEToolkits1.7.0CC(C)CC(NC(=O)C(C)NC(=O)C(C)NC(=O)OCc1ccccc1)P(=O)(O)OC(Cc2ccccc2)C(=O)OC
Canonical SMILESCACTVS3.370 COC(=O)[C@H](Cc1ccccc1)O[P](O)(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc2ccccc2
Canonical SMILESOpenEye OEToolkits1.7.0 C[C@@H](C(=O)N[C@@H](CC(C)C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)[C@H](C)NC(=O)OCc2ccccc2
InChIInChI1.03 InChI=1S/C29H40N3O9P/c1-19(2)16-25(42(37,38)41-24(28(35)39-5)17-22-12-8-6-9-13-22)32-27(34)20(3)30-26(33)21(4)31-29(36)40-18-23-14-10-7-11-15-23/h6-15,19-21,24-25H,16-18H2,1-5H3,(H,30,33)(H,31,36)(H,32,34)(H,37,38)/t20-,21-,24-,25+/m0/s1
InChIKeyInChI1.03 VWCUANLUSQBJLX-WIHVIGOGSA-N

Related Resource References

Resource NameReference
PubChem 5496819