H-THR-ARG-PRO-ILE-ILE-THR-THR-M-NITRO-TYR-GLY-PRO-SER-ASP-LYS(ABZ)-TYR-OH

pro_cas
213135-91-2
pro_cdbregno
CCD00305992
pro_formula
C80 H118 N20 O26
pro_molWeight
1775.93

basic_info

Product_Name: H-THR-ARG-PRO-ILE-ILE-THR-THR-M-NITRO-TYR-GLY-PRO-SER-ASP-LYS(ABZ)-TYR-OH
CAS: 213135-91-2
EnglishSynonyms: H-THR-ARG-PRO-ILE-ILE-THR-THR-M-NITRO-TYR-GLY-PRO-SER-ASP-LYS(ABZ)-TYR-OH
pro_mdlNumber: MFCD02259673
pro_acceptors: 46
pro_donors: 25
pro_smile: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(c(c1)[N+](=O)[O-])O)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCNC(=O)c3ccccc3N)C(=O)N[C@@H](Cc4ccc(cc4)O)C(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)N
InChi: InChI=1S/C80H118N20O26/c1-8-39(3)62(94-72(116)56-22-16-32-99(56)78(122)50(20-14-30-86-80(83)84)89-73(117)61(82)41(5)102)74(118)95-63(40(4)9-2)75(119)96-65(43(7)104)77(121)97-64(42(6)103)76(120)91-51(34-45-25-28-58(106)57(35-45)100(125)126)67(111)87-37-59(107)98-31-15-21-55(98)71(115)93-54(38-101)70(114)90-52(36-60(108)109)69(113)88-49(19-12-13-29-85-66(110)47-17-10-11-18-48(47)81)68(112)92-53(79(123)124)33-44-23-26-46(105)27-24-44/h10-11,17-18,23-28,35,39-43,49-56,61-65,101-106H,8-9,12-16,19-22,29-34,36-38,81-82H2,1-7H3,(H,85,110)(H,87,111)(H,88,113)(H,89,117)(H,90,114)(H,91,120)(H,92,112)(H,93,115)(H,94,116)(H,95,118)(H,96,119)(H,97,121)(H,108,109)(H,123,124)(H4,83,84,86)/t39-,40-,41+,42+,43+,49-,50-,51-,52-,53-,54-,55-,56-,61-,62-,63-,64-,65-/m0/s1
InChiKey: InChIKey=SGLSSPJNOVSZNV-PXPUYMMRSA-N

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