PRD_000387

N-(tert-butoxycarbonyl)-L-alanyl-L-alanyl-N-{(1R)-1-[(S)-[(1S)-2-{[(1R)-1-carboxyethyl]amino}-1-methyl-2-oxoethoxy](hyd roxy)phosphoryl]-2-methylpropyl}-L-prolinamide

PRD_000387 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1P11.

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Chemical Component Summary

NameN-(tert-butoxycarbonyl)-L-alanyl-L-alanyl-N-{(1R)-1-[(S)-[(1S)-2-{[(1R)-1-carboxyethyl]amino}-1-methyl-2-oxoethoxy](hyd roxy)phosphoryl]-2-methylpropyl}-L-prolinamide
Identifiers(2S)-2-[[(2S)-2-[[(1R)-2-methyl-1-[[(2S)-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]propyl]-oxidanyl-phosphoryl]oxypropanoyl]amino]propanoic acid
FormulaC26 H46 N5 O11 P
Molecular Weight635.644
TypePEPTIDE-LIKE
Isomeric SMILESC[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)P(=O)(O)O[C@@H](C)C(=O)N[C@@H](C)C(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C26H46N5O11P/c1-13(2)22(43(39,40)42-17(6)20(33)28-16(5)24(36)37)30-21(34)18-11-10-12-31(18)23(35)15(4)27-19(32)14(3)29-25(38)41-26(7,8)9/h13-18,22H,10-12H2,1-9H3,(H,27,32)(H,28,33)(H,29,38)(H,30,34)(H,36,37)(H,39,40)/t14-,15?,16+,17-,18+,22+/m0/s1
InChIKeyHNTUQMKXIPFXNH-NPYIXMRJSA-N
CompositionPolymer Sequences: BOC-ALA-ALA-PRO-PVA-LAC-ALA
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count89
Chiral Atom Count6
Bond Count89
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 5496794