H-PRO-THR-HIS-ILE-LYS-TRP-GLY-ASP-OH

CAS No.
117620-76-5
CCD No.
CCD00076787
Formula
C44 H64 N12 O12
MolWeight
953.062

Basic Information

Product Name: H-PRO-THR-HIS-ILE-LYS-TRP-GLY-ASP-OH
CAS: 117620-76-5
English Synonyms: H-PRO-THR-HIS-ILE-LYS-TRP-GLY-ASP-OH
MDL Number.: MFCD00153586
H bond acceptor: 24
H bond donor: 14
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]4CCCN4
InChi: InChI=1S/C44H64N12O12/c1-4-23(2)36(55-41(64)32(17-26-20-46-22-50-26)54-43(66)37(24(3)57)56-39(62)29-13-9-15-47-29)42(65)52-30(12-7-8-14-45)40(63)53-31(16-25-19-48-28-11-6-5-10-27(25)28)38(61)49-21-34(58)51-33(44(67)68)18-35(59)60/h5-6,10-11,19-20,22-24,29-33,36-37,47-48,57H,4,7-9,12-18,21,45H2,1-3H3,(H,46,50)(H,49,61)(H,51,58)(H,52,65)(H,53,63)(H,54,66)(H,55,64)(H,56,62)(H,59,60)(H,67,68)/t23-,24+,29-,30-,31-,32-,33-,36-,37-/m0/s1
InChiKey: InChIKey=QEULPEXEDWQVEI-DAZSAYDVSA-N

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