PGLU-GLN-ARG-LEU-GLY-ASN-GLN-TRP-ALA-VAL-GLY-HIS-LEU-PSI(CH2NH)-LEU-NH2

CAS No.
CCD No.
CCD00081698
Formula
C72 H114 N24 O17
MolWeight
1587.84

Basic Information

Product Name: PGLU-GLN-ARG-LEU-GLY-ASN-GLN-TRP-ALA-VAL-GLY-HIS-LEU-PSI(CH2NH)-LEU-NH2
English Synonyms: PGLU-GLN-ARG-LEU-GLY-ASN-GLN-TRP-ALA-VAL-GLY-HIS-LEU-PSI-(CH2NH)-LEU ; [LEU13-PSI(CH2NH)-LEU14]-BOMBESIN ; PGLU-GLN-ARG-LEU-GLY-ASN-GLN-TRP-ALA-VAL-GLY-HIS-LEU-PSI(CH2NH)-LEU-NH2
MDL Number.: MFCD00167517
H bond acceptor: 41
H bond donor: 23
Smile: CC(C)C[C@@H](CN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCC(=O)N4
InChi: InChI=1S/C72H114N24O17/c1-35(2)23-41(29-73)86-68(110)50(25-37(5)6)94-69(111)52(27-42-31-79-34-84-42)88-59(102)33-83-71(113)60(38(7)8)96-61(103)39(9)85-67(109)51(26-40-30-81-44-14-11-10-13-43(40)44)95-66(108)48(17-20-55(75)98)92-70(112)53(28-56(76)99)89-58(101)32-82-62(104)49(24-36(3)4)93-63(105)45(15-12-22-80-72(77)78)90-65(107)47(16-19-54(74)97)91-64(106)46-18-21-57(100)87-46/h10-11,13-14,30-31,34-39,41,45-53,60,81H,12,15-29,32-33,73H2,1-9H3,(H2,74,97)(H2,75,98)(H2,76,99)(H,79,84)(H,82,104)(H,83,113)(H,85,109)(H,86,110)(H,87,100)(H,88,102)(H,89,101)(H,90,107)(H,91,106)(H,92,112)(H,93,105)(H,94,111)(H,95,108)(H,96,103)(H4,77,78,80)/t39-,41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,60-/m0/s1
InChiKey: InChIKey=ZFIHMVIKWQMDCF-VCGJMWTASA-N

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