GP120-W61D-5

pro_cas
pro_cdbregno
CCD00416112
pro_formula
C64 H113 N15 O20 S4
pro_molWeight
1540.95

basic_info

Product_Name: GP120-W61D-5
EnglishSynonyms: GP120-W61D-5 ; H-GLY-THR-MET-LEU-LEU-GLY-MET-LEU-MET-ILE-CYS-SER-ALA-ALA-GLU-OH ; GTMLLGMLMICSAAE
pro_mdlNumber: MFCD03790042
pro_acceptors: 35
pro_donors: 19
pro_smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN
InChi: InChI=1S/C64H113N15O20S4/c1-15-34(8)50(62(96)77-46(30-100)61(95)76-45(29-80)60(94)68-35(9)52(86)67-36(10)53(87)72-41(64(98)99)16-17-49(84)85)79-57(91)40(20-23-103-14)70-58(92)43(25-32(4)5)74-55(89)38(18-21-101-12)69-48(83)28-66-54(88)42(24-31(2)3)73-59(93)44(26-33(6)7)75-56(90)39(19-22-102-13)71-63(97)51(37(11)81)78-47(82)27-65/h31-46,50-51,80-81,100H,15-30,65H2,1-14H3,(H,66,88)(H,67,86)(H,68,94)(H,69,83)(H,70,92)(H,71,97)(H,72,87)(H,73,93)(H,74,89)(H,75,90)(H,76,95)(H,77,96)(H,78,82)(H,79,91)(H,84,85)(H,98,99)/t34-,35-,36-,37+,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-,51-/m0/s1
InChiKey: InChIKey=KPQMIOKDCLYGSV-ATNIRWLKSA-N

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