04C/PRD_000991

1,2,4-TRIDEOXY-4-METHYL-2-{[N-(MORPHOLIN-4-YLACETYL)-L-ALANYL-O-METHYL-L-TYROSYL]AMINO}-1-PHENYL-D-XYLITOL

04C/PRD_000991 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3UN4.

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Chemical Component Summary

Name1,2,4-TRIDEOXY-4-METHYL-2-{[N-(MORPHOLIN-4-YLACETYL)-L-ALANYL-O-METHYL-L-TYROSYL]AMINO}-1-PHENYL-D-XYLITOL
Identifiers(2S)-3-(4-methoxyphenyl)-N-[(2S,3S,4R)-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2S)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
FormulaC31 H44 N4 O7
Molecular Weight584.704
TypePEPTIDE-LIKE
Isomeric SMILESC[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3)O
InChIInChI=1S/C31H44N4O7/c1-21(20-36)29(38)26(17-23-7-5-4-6-8-23)33-31(40)27(18-24-9-11-25(41-3)12-10-24)34-30(39)22(2)32-28(37)19-35-13-15-42-16-14-35/h4-12,21-22,26-27,29,36,38H,13-20H2,1-3H3,(H,32,37)(H,33,40)(H,34,39)/t21-,22+,26+,27+,29+/m1/s1
InChIKeySLVOSRJOLWNALP-QAKIEGLASA-N
CompositionPolymer Sequences: 00E-ALA-0A1-04B
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count86
Chiral Atom Count5
Bond Count88
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 137347833