CYS(ACM)-ILE-ALA-GLN-ASN-ASN-CYS(ACM)-THR-GLY-LEU-GLU-GLN-GLU-GLN-MET-ILE-LYS-LYS

CAS No.
CCD No.
CCD00118591
Formula
C89 H153 N27 O31 S3
MolWeight
2193.54

Basic Information

Product Name: CYS(ACM)-ILE-ALA-GLN-ASN-ASN-CYS(ACM)-THR-GLY-LEU-GLU-GLN-GLU-GLN-MET-ILE-LYS-LYS
English Synonyms: GP140 (153-168)-K-K ; CYS(ACM)-ILE-ALA-GLN-ASN-ASN-CYS(ACM)-THR-GLY-LEU-GLU-GLN-GLU-GLN-MET-ILE-LYS-LYS
MDL Number.: MFCD00273891
H bond acceptor: 58
H bond donor: 31
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSCNC(=O)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CSCNC(=O)C)N
InChi: InChI=1S/C89H153N27O31S3/c1-12-43(5)70(114-74(131)49(92)38-149-40-99-47(9)118)87(144)101-45(7)73(130)103-51(20-25-62(93)120)80(137)111-59(35-65(96)123)83(140)112-60(36-66(97)124)84(141)113-61(39-150-41-100-48(10)119)85(142)116-72(46(8)117)86(143)98-37-67(125)102-58(34-42(3)4)82(139)107-55(24-29-69(128)129)79(136)104-52(21-26-63(94)121)76(133)106-54(23-28-68(126)127)78(135)105-53(22-27-64(95)122)77(134)108-56(30-33-148-11)81(138)115-71(44(6)13-2)88(145)109-50(18-14-16-31-90)75(132)110-57(89(146)147)19-15-17-32-91/h42-46,49-61,70-72,117H,12-41,90-92H2,1-11H3,(H2,93,120)(H2,94,121)(H2,95,122)(H2,96,123)(H2,97,124)(H,98,143)(H,99,118)(H,100,119)(H,101,144)(H,102,125)(H,103,130)(H,104,136)(H,105,135)(H,106,133)(H,107,139)(H,108,134)(H,109,145)(H,110,132)(H,111,137)(H,112,140)(H,113,141)(H,114,131)(H,115,138)(H,116,142)(H,126,127)(H,128,129)(H,146,147)/t43-,44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,70-,71-,72-/m0/s1
InChiKey: InChIKey=PSXCFBYNCLBBAX-MVFPDDQISA-N

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