MCA-LYS-LYS-GLU-ASP-VAL-VAL-ABU-CYS-SER-ABU-SER-(NO2)PHE-LYS-LYS-NH2

CAS No.
CCD No.
CCD00151357
Formula
C81 H126 N20 O26 S
MolWeight
1828.07

Basic Information

Product Name: MCA-LYS-LYS-GLU-ASP-VAL-VAL-ABU-CYS-SER-ABU-SER-(NO2)PHE-LYS-LYS-NH2
English Synonyms: MCA-LYS-LYS-GLU-ASP-VAL-VAL-ABU-CYS-SER-ABU-SER-(NO2)PHE-LYS-LYS-NH2 ; MCA-LYS-LYS-GLU-ASP-VAL-VAL-ABU-CYS-SER-ABU-SER-P-NITRO-PHE-LYS-LYS-NH2
MDL Number.: MFCD00672486
H bond acceptor: 46
H bond donor: 23
Smile: CC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(cc1)[N+](=O)[O-])C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)Cc2cc(=O)oc3c2ccc(c3)OC
InChi: InChI=1S/C81H126N20O26S/c1-8-49(69(111)96-59(40-103)78(120)94-56(34-44-22-24-46(25-23-44)101(124)125)75(117)92-53(20-12-16-32-84)72(114)90-51(68(86)110)18-10-14-30-82)88-77(119)58(39-102)97-79(121)60(41-128)98-70(112)50(9-2)89-80(122)66(42(3)4)100-81(123)67(43(5)6)99-76(118)57(38-64(107)108)95-74(116)55(28-29-63(105)106)93-73(115)54(21-13-17-33-85)91-71(113)52(19-11-15-31-83)87-62(104)35-45-36-65(109)127-61-37-47(126-7)26-27-48(45)61/h22-27,36-37,42-43,49-60,66-67,102-103,128H,8-21,28-35,38-41,82-85H2,1-7H3,(H2,86,110)(H,87,104)(H,88,119)(H,89,122)(H,90,114)(H,91,113)(H,92,117)(H,93,115)(H,94,120)(H,95,116)(H,96,111)(H,97,121)(H,98,112)(H,99,118)(H,100,123)(H,105,106)(H,107,108)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-,67-/m0/s1
InChiKey: InChIKey=FMNYRKRDSXZWBN-WOKMJEIUSA-N

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