EBIRATIDE

105250-86-0

MFCD00672449

C48 H73 N11 O10 S

996.238

InChI=1S/C48H73N11O10S/c1-70(68,69)27-23-36(51)43(62)55-38(21-22-42(60)61)46(65)59-41(30-35-31-52-32-54-35)48(67)58-40(29-34-18-10-7-11-19-34)47(66)56-37(20-12-14-25-50)45(64)57-39(28-33-16-8-6-9-17-33)44(63)53-26-15-5-3-2-4-13-24-49/h6-11,16-19,31-32,36-41H,2-5,12-15,20-30,49-51H2,1H3,(H,52,54)(H,53,63)(H,55,62)(H,56,66)(H,57,64)(H,58,67)(H,59,65)(H,60,61)/t36-,37+,38-,39-,40-,41-/m0/s1

InChIKey=CLFHFIGNDKHDPG-MPJXNKHJSA-N

CS(=O)(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCCCCCCN)N

H bond donor:11

H bond acceptor:21

XLogP3:0.0

Bulk/Fine:F