PRD_000245

The representative PDB ID is 2SEM.

Chemical Component Summary
Name	1-acetyl-L-prolyl-L-prolyl-L-prolyl-L-valyl-N-(1-methylethyl)glycyl-L-prolyl-N~5~-[amino(iminio)methyl]-L-ornithyl- N~5~-[amino(iminio)methyl]-L-ornithine
Identifiers	[[[(4S)-4-[[(2S)-5-[[azaniumylidene(azanyl)methyl]amino]-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]-propan-2-yl-amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentyl]amino]-azanyl-methylidene]azanium
Formula	C₄₄ H₇₆ N₁₄ O₁₀
Molecular Weight	961.162
Type	PEPTIDE-LIKE
Isomeric SMILES	CC(C)[C@@H](C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)O)C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)C
InChI	InChI=1S/C44H74N14O10/c1-25(2)35(53-38(63)31-15-9-22-56(31)40(65)33-17-11-23-57(33)39(64)32-16-10-20-54(32)27(5)59)41(66)58(26(3)4)24-34(60)55-21-8-14-30(55)37(62)51-28(12-6-18-49-43(45)46)36(61)52-29(42(67)68)13-7-19-50-44(47)48/h25-26,28-33,35H,6-24H2,1-5H3,(H,51,62)(H,52,61)(H,53,63)(H,67,68)(H4,45,46,49)(H4,47,48,50)/p+2/t28?,29?,30?,31-,32-,33-,35-/m0/s1
InChIKey	FMLXWZBYHBMUSU-XZOONCOBSA-P
Composition	Polymer Sequences: ACE-PRO-PRO-PRO-VAL-IPG-PRO-ARG-ARG
BIRD class	INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a