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136831-50-0

G-V-L-S-N-V-I-G-Y-L-K-K-L-G-T-G-A-L-N-A-V-L-K-Q

G-V-L-S-N-V-I-G-Y-L-K-K-L-G-T-G-A-L-N-A-V-L-K-Q

CAS No.
136831-50-0
CCD No.
CCD00231119
Formula
C113 H196 N30 O31
MolWeight
2470.97

Basic Information

Product Name： G-V-L-S-N-V-I-G-Y-L-K-K-L-G-T-G-A-L-N-A-V-L-K-Q
CAS： 136831-50-0
English Synonyms： GLY-VAL-LEU-SER-ASN-VAL-ILE-GLY-TYR-LEU-LYS-LYS-LEU-GLY-THR-GLY-ALA-LEU-ASN-ALA-VAL-LEU-LYS-GLN ; G-V-L-S-N-V-I-G-Y-L-K-K-L-G-T-G-A-L-N-A-V-L-K-Q ; PGQ
MDL Number.： MFCD01631185
H bond acceptor： 61
H bond donor： 34
Smile： CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](CC)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)CN
InChi： InChI=1S/C113H196N30O31/c1-22-63(19)92(143-112(172)91(62(17)18)142-106(166)79(49-84(120)149)135-107(167)80(54-144)138-104(164)76(46-59(11)12)136-110(170)89(60(13)14)139-85(150)50-117)108(168)122-52-87(152)126-77(47-66-33-35-67(145)36-34-66)105(165)133-74(44-57(7)8)101(161)128-68(30-24-27-39-114)97(157)127-70(32-26-29-41-116)99(159)132-72(42-55(3)4)96(156)121-53-88(153)140-93(81(146)23-2)109(169)123-51-86(151)124-64(20)94(154)131-73(43-56(5)6)103(163)134-78(48-83(119)148)100(160)125-65(21)95(155)141-90(61(15)16)111(171)137-75(45-58(9)10)102(162)129-69(31-25-28-40-115)98(158)130-71(113(173)174)37-38-82(118)147/h33-36,55-65,68-81,89-93,144-146H,22-32,37-54,114-117H2,1-21H3,(H2,118,147)(H2,119,148)(H2,120,149)(H,121,156)(H,122,168)(H,123,169)(H,124,151)(H,125,160)(H,126,152)(H,127,157)(H,128,161)(H,129,162)(H,130,158)(H,131,154)(H,132,159)(H,133,165)(H,134,163)(H,135,167)(H,136,170)(H,137,171)(H,138,164)(H,139,150)(H,140,153)(H,141,155)(H,142,166)(H,143,172)(H,173,174)/t63-,64-,65-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81+,89-,90-,91-,92-,93-/m0/s1
InChiKey： InChIKey=BSZUUZLIYGPLHX-JHLOIRLTSA-N

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