PRD_000396

ACE-ALC-ARG-MPQ-MET-ALA-SER-TBG-NH2

PRD_000396 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1D6E.

Find entries where PRD_000396 is present

Toggle HydrogenToggle Labels

Chemical Component Summary

NameACE-ALC-ARG-MPQ-MET-ALA-SER-TBG-NH2
Identifiers[[[(4S)-4-[[(2S)-2-acetamido-3-cyclohexyl-propanoyl]amino]-5-[[(1S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-3,3-dimethyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-amino]-5-oxidanylidene-pentyl]amino]-azanyl-methylidene]azanium
FormulaC43 H72 N11 O9 S
Molecular Weight919.165
TypePEPTIDE-LIKE
Isomeric SMILESC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N)C(C)(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](c1ccccc1)N(C)C(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@H](CC2CCCCC2)NC(=O)C
InChIInChI=1S/C43H71N11O9S/c1-25(36(58)52-32(24-55)39(61)53-34(35(44)57)43(3,4)5)48-37(59)29(20-22-64-7)50-40(62)33(28-17-12-9-13-18-28)54(6)41(63)30(19-14-21-47-42(45)46)51-38(60)31(49-26(2)56)23-27-15-10-8-11-16-27/h9,12-13,17-18,25,27,29-34,55H,8,10-11,14-16,19-24H2,1-7H3,(H2,44,57)(H,48,59)(H,49,56)(H,50,62)(H,51,60)(H,52,58)(H,53,61)(H4,45,46,47)/p+1
InChIKeyTUCXIPWOBWBJME-UHFFFAOYSA-O
CompositionPolymer Sequences: ACE-ALC-ARG-MPQ-MET-ALA-SER-TBG-NH2
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count136
Chiral Atom Count7
Bond Count137
Aromatic Bond Count6