H2N-VFDEAIRAV-OH

pro_cas
pro_cdbregno
CCD00629577
pro_formula
C46 H74 N12 O14
pro_molWeight
1019.16

basic_info

Product_Name: H2N-VFDEAIRAV-OH
EnglishSynonyms: RAC GTPASE FRAGMENT ; H2N-VFDEAIRAV-OH
pro_mdlNumber: MFCD08274400
pro_acceptors: 26
pro_donors: 15
pro_smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N
InChi: InChI=1S/C46H74N12O14/c1-9-24(6)36(44(70)54-28(16-13-19-50-46(48)49)39(65)51-25(7)37(63)57-35(23(4)5)45(71)72)58-38(64)26(8)52-40(66)29(17-18-32(59)60)53-42(68)31(21-33(61)62)55-41(67)30(20-27-14-11-10-12-15-27)56-43(69)34(47)22(2)3/h10-12,14-15,22-26,28-31,34-36H,9,13,16-21,47H2,1-8H3,(H,51,65)(H,52,66)(H,53,68)(H,54,70)(H,55,67)(H,56,69)(H,57,63)(H,58,64)(H,59,60)(H,61,62)(H,71,72)(H4,48,49,50)/t24-,25-,26-,28-,29-,30-,31-,34-,35-,36-/m0/s1
InChiKey: InChIKey=YNHATOQTOTXDPK-NQTJHYFJSA-N

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