PRD_000285

The representative PDB ID is 2PUQ.

Chemical Component Summary
Name	L-tryptophyl-L-tyrosyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl)butyl]-L-threoninamide
Identifiers	[azanyl-[[(4S)-4-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-6-chloranyl-5-oxidanyl-hexyl]amino]methylidene]azanium
Formula	C₃₁ H₄₄ Cl N₈ O₆
Molecular Weight	660.184
Type	PEPTIDE-LIKE
Isomeric SMILES	C[C@H]([C@@H](C(=O)N[C@@H](CCCNC(=[NH2+])N)C(CCl)O)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)O
InChI	InChI=1S/C31H43ClN8O6/c1-17(41)27(30(46)38-24(26(43)15-32)7-4-12-36-31(34)35)40-29(45)25(13-18-8-10-20(42)11-9-18)39-28(44)22(33)14-19-16-37-23-6-3-2-5-21(19)23/h2-3,5-6,8-11,16-17,22,24-27,37,41-43H,4,7,12-15,33H2,1H3,(H,38,46)(H,39,44)(H,40,45)(H4,34,35,36)/p+1/t17-,22?,24-,25-,26+,27-/m0/s1
InChIKey	AWWBEFIDAIXRMM-DSANGGGVSA-O
Composition	Polymer Sequences: TRP-TYR-THR-AR7-0QE
BIRD class	INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a