NEF MN (68-82)

pro_cas
pro_cdbregno
CCD00118535
pro_formula
C78 H128 N20 O18 S
pro_molWeight
1666.06

basic_info

Product_Name: NEF MN (68-82)
EnglishSynonyms: NEF MN (68-82) ; VAL-GLY-PHE-PRO-VAL-LYS-PRO-GLN-VAL-PRO-LEU-ARG-PRO-MET-THR
pro_mdlNumber: MFCD00273835
pro_acceptors: 38
pro_donors: 18
pro_smile: CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc5ccccc5)NC(=O)CNC(=O)[C@H](C(C)C)N
InChi: InChI=1S/C78H128N20O18S/c1-42(2)39-52(66(104)89-51(24-16-33-84-78(82)83)74(112)96-35-18-26-55(96)68(106)88-49(31-38-117-10)65(103)94-63(46(9)99)77(115)116)91-69(107)56-27-20-37-98(56)76(114)62(45(7)8)93-64(102)48(29-30-58(80)100)87-67(105)54-25-17-34-95(54)73(111)50(23-14-15-32-79)90-72(110)61(44(5)6)92-70(108)57-28-19-36-97(57)75(113)53(40-47-21-12-11-13-22-47)86-59(101)41-85-71(109)60(81)43(3)4/h11-13,21-22,42-46,48-57,60-63,99H,14-20,23-41,79,81H2,1-10H3,(H2,80,100)(H,85,109)(H,86,101)(H,87,105)(H,88,106)(H,89,104)(H,90,110)(H,91,107)(H,92,108)(H,93,102)(H,94,103)(H,115,116)(H4,82,83,84)/t46-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,60+,61+,62+,63+/m1/s1
InChiKey: InChIKey=DSKHKASAQAVGJQ-VBIQPSKYSA-N

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