PRD_002352

Z-VAD(OMe)-FMK

Created:	2020-08-26
Last modified:	2020-09-02

PRD_002352 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 7C8B.

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3 entries where PRD_002352 is present

Chemical Details
Formal Charge	0
Atom Count	63
Chiral Atom Count	3
Bond Count	63
Aromatic Bond Count	6

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Chemical Component Summary
Name	Z-VAD(OMe)-FMK
Systematic Name (OpenEye OEToolkits)	methyl (3~{S})-3-[[(2~{S})-2-[[(2~{S})-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxidanylidene-pentanoate
Formula	C₂₂ H₃₁ N₃ O₇
Molecular Weight	449.497
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COC(=O)C[CH](NC(=O)[CH](C)NC(=O)[CH](NC(=O)OCc1ccccc1)C(C)C)C(C)=O
SMILES	OpenEye OEToolkits	2.0.7	CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)OC)C(=O)C)NC(=O)OCc1ccccc1
Canonical SMILES	CACTVS	3.385	COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H](C(=O)N[C@@H](CC(=O)OC)C(=O)C)NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1
InChI	InChI	1.06	InChI=1S/C22H31N3O7/c1-13(2)19(25-22(30)32-12-16-9-7-6-8-10-16)21(29)23-14(3)20(28)24-17(15(4)26)11-18(27)31-5/h6-10,13-14,17,19H,11-12H2,1-5H3,(H,23,29)(H,24,28)(H,25,30)/t14-,17-,19-/m0/s1
InChIKey	InChI	1.06	BXVRSPVFYKPTNU-FNHZYXHNSA-N

Related Resource References

Resource Name	Reference
PubChem	167311773

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