PRD_000482

YM-254890

PRD_000482 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3AH8.

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Chemical Component Summary

NameYM-254890
Identifiers[(1R)-1-[(3S,6S,9S,12S,18R,21S,22R)-21-acetamido-3-[(1R)-1-methoxyethyl]-4,9,10,12,16,22-hexamethyl-15-methylidene-2,5,8,11,14,17,20-heptakis(oxidanylidene)-18-(phenylmethyl)-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-6-yl]-2-methyl-propyl] (2S,3R)-2-acetamido-4-methyl-3-oxidanyl-pentanoate
FormulaC46 H69 N7 O15
Molecular Weight960.078
TypePEPTIDE-LIKE
Isomeric SMILESC[C@@H]1[C@@H](C(=O)O[C@@H](C(=O)N(C(=C)C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)O1)[C@@H](C)OC)C)[C@@H](C(C)C)OC(=O)[C@H]([C@@H](C(C)C)O)NC(=O)C)C)C)C)C)Cc2ccccc2)NC(=O)C
InChIInChI=1S/C46H69N7O15/c1-22(2)37(56)34(49-30(11)55)45(63)68-38(23(3)4)35-43(61)53(14)36(28(9)65-15)46(64)66-27(8)33(48-29(10)54)44(62)67-32(21-31-19-17-16-18-20-31)42(60)52(13)25(6)39(57)47-24(5)41(59)51(12)26(7)40(58)50-35/h16-20,22-24,26-28,32-38,56H,6,21H2,1-5,7-15H3,(H,47,57)(H,48,54)(H,49,55)(H,50,58)/t24?,26?,27?,28-,32?,33?,34?,35?,36?,37?,38?/m1/s1
InChIKeyQVYLWCAYZGFGNF-CXXLQVDGSA-N
CompositionPolymer Sequences: ACE-HL2-HL2-OTH-THC-HF2-DAM-ALA-MAA
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count137
Chiral Atom Count11
Bond Count138
Aromatic Bond Count6

Related Resource References

Resource NameReference
Pharos CHEMBL4288881
PubChem 9919454
ChEMBL CHEMBL4288881