PRD_000943

modified protein phyllopod peptide BI-117F7

PRD_000943 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4I7D.

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Chemical Component Summary

Namemodified protein phyllopod peptide BI-117F7
Identifiers[[[(4S)-4-[[(2S)-2-[[(2S)-2-acetamido-6-azaniumyl-hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[[azaniumylidene(azanyl)methyl]amino]-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-5-[[azaniumylidene(azanyl)methyl]amino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-6-(propanoylamino)hexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentyl]amino]-azanyl-methylidene]azanium
FormulaC74 H138 N24 O16 S
Molecular Weight1,652.104
TypePEPTIDE-LIKE
Isomeric SMILESCCC(=O)NCCCC[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)C
InChIInChI=1S/C74H134N24O16S/c1-13-55(100)82-32-17-15-24-47(61(103)94-58(43(8)9)68(110)92-51(71(113)114)27-20-35-85-74(80)81)89-64(106)53-28-21-36-97(53)70(112)50(26-19-34-84-73(78)79)91-67(109)57(42(6)7)95-62(104)48(30-38-115-12)88-59(101)44(10)86-66(108)56(41(4)5)96-65(107)54-29-22-37-98(54)69(111)49(25-18-33-83-72(76)77)90-63(105)52(39-40(2)3)93-60(102)46(87-45(11)99)23-14-16-31-75/h40-44,46-54,56-58H,13-39,75H2,1-12H3,(H,82,100)(H,86,108)(H,87,99)(H,88,101)(H,89,106)(H,90,105)(H,91,109)(H,92,110)(H,93,102)(H,94,103)(H,95,104)(H,96,107)(H,113,114)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/p+4/t44-,46-,47-,48-,49-,50-,51-,52-,53-,54-,56-,57-,58-/m0/s1
InChIKeyYBOUSCRLHKINTH-ATZSMFSESA-R
CompositionPolymer Sequences: ACE-LYS-LEU-ARG-PRO-VAL-ALA-MET-VAL-ARG-PRO-PRK-VAL-ARG
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count253
Chiral Atom Count13
Bond Count254
Aromatic Bond Count0