PRRS-PQGAB-N

CAS No.
CCD No.
CCD03289733
Formula
C54 H76 N12 O24 S
MolWeight
1309.32

Basic Information

Product Name: PRRS-PQGAB-N
English Synonyms: PRRS-PQGAB-N
MDL Number.: MFCD17018688
H bond acceptor: 36
H bond donor: 21
Smile: CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN
InChi: InChI=1S/C54H76N12O24S/c1-24(2)13-29(57-51(86)36(21-68)64-50(85)35(20-67)56-39(72)19-55)44(79)60-33(17-41(75)76)48(83)62-32(16-40(73)74)47(82)58-30(14-26-7-5-4-6-8-26)46(81)65-38(23-91)53(88)59-31(15-27-9-11-28(71)12-10-27)45(80)61-34(18-42(77)78)49(84)63-37(22-69)52(87)66-43(25(3)70)54(89)90/h4-12,24-25,29-38,43,67-71,91H,13-23,55H2,1-3H3,(H,56,72)(H,57,86)(H,58,82)(H,59,88)(H,60,79)(H,61,80)(H,62,83)(H,63,84)(H,64,85)(H,65,81)(H,66,87)(H,73,74)(H,75,76)(H,77,78)(H,89,90)/t25-,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,43+/m1/s1
InChiKey: InChIKey=UZTVLRVRELHRKR-HBOYCMJHSA-N

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