0PK/PRD_000656

CBZ-PHE-P-LEU-ALA (ZFPLA)

Created:	2008-09-14
Last modified:	2021-03-01

0PK/PRD_000656 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4TMN.

Chemical Details
Formal Charge	0
Atom Count	70
Chiral Atom Count	4
Bond Count	71
Aromatic Bond Count	12

2D diagram of 0PK

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Chemical Component Summary
Name	CBZ-PHE-P-LEU-ALA (ZFPLA)
Synonyms	ZFPLA
Systematic Name (OpenEye OEToolkits)	(2S)-2-[[(2S)-2-[[hydroxy-[(1R)-2-phenyl-1-phenylmethoxycarbonylamino-ethyl]phosphoryl]amino]-4-methyl-pentanoyl]amino]propanoic acid
Formula	C₂₅ H₃₄ N₃ O₇ P
Molecular Weight	519.527
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(NC(=O)C(NP(=O)(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2)CC(C)C)C
SMILES	CACTVS	3.341	CC(C)C[CH](N[P](O)(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)N[CH](C)C(O)=O
Canonical SMILES	CACTVS	3.341	CC(C)C[C@H](N[P@](O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)N[C@@H](C)C(O)=O
InChI	InChI	1.03	InChI=1S/C25H34N3O7P/c1-17(2)14-21(23(29)26-18(3)24(30)31)28-36(33,34)22(15-19-10-6-4-7-11-19)27-25(32)35-16-20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3,(H,26,29)(H,27,32)(H,30,31)(H2,28,33,34)/t18-,21-,22+/m0/s1
InChIKey	InChI	1.03	PREBTZMCCRSQJI-YUXAGFNASA-N

Related Resource References

Resource Name	Reference
PubChem	5492587

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.