PRD_000776

Lyngbyastatin 7

PRD_000776 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4GVU.

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Chemical Component Summary

NameLyngbyastatin 7
Identifiers(2S)-N-[(2S,5S,8S,11R,12S,15Z,18S)-15-ethylidene-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-21-oxidanyl-3,6,9,13,16,22-hexakis(oxidanylidene)-2-(phenylmethyl)-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-(hexanoylamino)pentanediamide
FormulaC48 H66 N8 O12
Molecular Weight947.084
TypePEPTIDE-LIKE
Isomeric SMILESCCCCCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CC[C@@H](C2=O)NC(=O)/C(=C/C)/NC1=O)O)Cc3ccccc3)C)Cc4ccc(cc4)O)C(C)C)C
InChIInChI=1S/C48H66N8O12/c1-7-9-11-16-38(59)50-33(21-23-37(49)58)43(62)54-41-28(5)68-48(67)40(27(3)4)53-44(63)35(25-30-17-19-31(57)20-18-30)55(6)47(66)36(26-29-14-12-10-13-15-29)56-39(60)24-22-34(46(56)65)52-42(61)32(8-2)51-45(41)64/h8,10,12-15,17-20,27-28,33-36,39-41,57,60H,7,9,11,16,21-26H2,1-6H3,(H2,49,58)(H,50,59)(H,51,64)(H,52,61)(H,53,63)(H,54,62)/b32-8-/t28-,33?,34+,35+,36-,39-,40-,41+/m1/s1
InChIKeyDZIGKKCSWPSVIO-FGRBGZOXSA-N
CompositionPolymer Sequences: 6NA-GLN-THR-DBU-GLJ-PHE-YNM-VAL
BIRD classENZYME INHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count134
Chiral Atom Count7
Bond Count137
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL398726
PubChem 23657291
ChEMBL CHEMBL398726