PRD_000430

H 189

PRD_000430 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3ER5.

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Chemical Component Summary

NameH 189
Identifiers[(5S)-5-[[(2S)-3-(1H-imidazol-3-ium-4-yl)-2-[[(2S,3S)-2-[[(2S)-2-[[(3S,4S)-4-[[(2S)-3-(1H-imidazol-3-ium-4-yl)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-(1H-imidazol-3-ium-4-yl)-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]propanoyl]amino]-6-methyl-3-oxidanyl-heptanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]-6-oxidanyl-6-oxidanylidene-hexyl]azanium
FormulaC62 H97 N17 O12
Molecular Weight1,272.54
TypePEPTIDE-LIKE
Isomeric SMILESCC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc5c[nH]c[nH+]5)NC(=O)[C@@H]6CCCN6)O
InChIInChI=1S/C62H93N17O12/c1-7-37(6)53(60(88)75-47(26-40-30-65-33-69-40)56(84)71-43(62(90)91)17-11-12-20-63)78-59(87)52(36(4)5)77-51(81)28-50(80)44(23-35(2)3)72-57(85)46(25-39-29-64-32-68-39)73-55(83)45(24-38-15-9-8-10-16-38)74-58(86)49-19-14-22-79(49)61(89)48(27-41-31-66-34-70-41)76-54(82)42-18-13-21-67-42/h8-10,15-16,29-37,42-50,52-53,67,80H,7,11-14,17-28,63H2,1-6H3,(H,64,68)(H,65,69)(H,66,70)(H,71,84)(H,72,85)(H,73,83)(H,74,86)(H,75,88)(H,76,82)(H,77,81)(H,78,87)(H,90,91)/p+4/t37-,42-,43-,44-,45-,46+,47-,48?,49+,50-,52-,53+/m1/s1
InChIKeyPZJOKAFPZVCZBJ-WIIBMPLCSA-R
CompositionPolymer Sequences: PRO-HIS-PRO-PHE-HIS-STA-VAL-ILE-HIS-LYS
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count188
Chiral Atom Count12
Bond Count193
Aromatic Bond Count21