0EF/PRD_000260

N-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(carboxyamino)-2-phenylethyl]-L-prolinamide

0EF/PRD_000260 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1SCN.

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Chemical Component Summary

NameN-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(carboxyamino)-2-phenylethyl]-L-prolinamide
SynonymsN-(TERT-BUTOXYCARBONYL-ALANYL-PROLYL-PHENYLALANYL)-O-BENZOYL HYDROXYLAMINE
Identifiers[(1R)-1-[[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-2-phenyl-ethyl]carbamic acid
FormulaC22 H32 N4 O6
Molecular Weight448.513
TypePEPTIDE-LIKE
Isomeric SMILESC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)NC(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C22H32N4O6/c1-14(23-21(31)32-22(2,3)4)19(28)26-12-8-11-16(26)18(27)24-17(25-20(29)30)13-15-9-6-5-7-10-15/h5-7,9-10,14,16-17,25H,8,11-13H2,1-4H3,(H,23,31)(H,24,27)(H,29,30)/t14-,16-,17+/m0/s1
InChIKeyYLCJIHHAPKJGHH-BHYGNILZSA-N
CompositionPolymer Sequences: BOC-ALA-PRO-APE
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count64
Chiral Atom Count3
Bond Count65
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 137347849