PRD_000233

The representative PDB ID is 1D5M.

Chemical Component Summary
Name	N-acetyl-3-cyclohexyl-L-alanyl-N~5~-[amino(iminio)methyl]-L-ornithyl-L-alanyl-L-methionyl-S-[(acetylamino)methyl]-L- cysteinyl-L-seryl-L-leucinamide
Identifiers	[[[(4S)-4-[[(2S)-2-acetamido-3-cyclohexyl-propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2R)-3-(acetamidomethylsulfanyl)-1-[[(2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-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]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentyl]amino]-azanyl-methylidene]azanium
Formula	C₄₀ H₇₃ N₁₂ O₁₀ S₂
Molecular Weight	946.212
Type	PEPTIDE-LIKE
Isomeric SMILES	C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CSCNC(=O)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@H](CC1CCCCC1)NC(=O)C
InChI	InChI=1S/C40H72N12O10S2/c1-22(2)17-29(33(41)56)50-38(61)31(19-53)51-39(62)32(20-64-21-45-24(4)54)52-36(59)28(14-16-63-6)48-34(57)23(3)46-35(58)27(13-10-15-44-40(42)43)49-37(60)30(47-25(5)55)18-26-11-8-7-9-12-26/h22-23,26-32,53H,7-21H2,1-6H3,(H2,41,56)(H,45,54)(H,46,58)(H,47,55)(H,48,57)(H,49,60)(H,50,61)(H,51,62)(H,52,59)(H4,42,43,44)/p+1/t23?,27?,28?,29-,30?,31+,32-/m1/s1
InChIKey	KHCSMHYTMQUQCE-KTSNBLDASA-O
Composition	Polymer Sequences: ACE-ALC-ARG-ALA-MET-CY1-SER-LEU-NH2
BIRD class	INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a