LYS-LYS-ILE-SER-GLY-ARG-LEU-SER-PRO-ILE-MET-THR-GLU-GLN

CAS No.
CCD No.
CCD01268521
Formula
C68 H122 N20 O21 S
MolWeight
1587.9

Basic Information

Product Name: LYS-LYS-ILE-SER-GLY-ARG-LEU-SER-PRO-ILE-MET-THR-GLU-GLN
English Synonyms: WOODTIDE ; LYS-LYS-ILE-SER-GLY-ARG-LEU-SER-PRO-ILE-MET-THR-GLU-GLN
MDL Number.: MFCD11656201
H bond acceptor: 41
H bond donor: 24
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N
InChi: InChI=1S/C68H122N20O21S/c1-9-36(5)52(85-59(100)41(18-12-14-27-70)78-55(96)39(71)17-11-13-26-69)64(105)83-46(33-89)56(97)76-32-50(93)77-40(19-15-28-75-68(73)74)57(98)82-45(31-35(3)4)61(102)84-47(34-90)66(107)88-29-16-20-48(88)62(103)86-53(37(6)10-2)63(104)80-43(25-30-110-8)60(101)87-54(38(7)91)65(106)79-42(22-24-51(94)95)58(99)81-44(67(108)109)21-23-49(72)92/h35-48,52-54,89-91H,9-34,69-71H2,1-8H3,(H2,72,92)(H,76,97)(H,77,93)(H,78,96)(H,79,106)(H,80,104)(H,81,99)(H,82,98)(H,83,105)(H,84,102)(H,85,100)(H,86,103)(H,87,101)(H,94,95)(H,108,109)(H4,73,74,75)/t36-,37-,38+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,52-,53-,54-/m0/s1
InChiKey: InChIKey=OQAFCILWEALKPW-VVPQDLLDSA-N

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