DYNGNLHEALQRITC

CAS No.
CCD No.
CCD01020635
Formula
C73 H115 N23 O25 S
MolWeight
1746.91

Basic Information

Product Name: DYNGNLHEALQRITC
English Synonyms: DYNGNLHEALQRITC ; NC3 CLAC-P (430-443) ; H-ASP-TYR-ASN-GLY-ASN-LEU-HIS-GLU-ALA-LEU-GLN-ARG-ILE-THR-CYS-OH
MDL Number.: MFCD11113740
H bond acceptor: 48
H bond donor: 27
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CC(=O)O)N
InChi: InChI=1S/C73H115N23O25S/c1-9-34(6)57(70(118)96-58(36(8)97)71(119)94-50(30-122)72(120)121)95-64(112)41(11-10-20-81-73(78)79)86-63(111)42(16-18-51(75)99)87-65(113)44(21-32(2)3)89-59(107)35(7)84-62(110)43(17-19-55(103)104)88-68(116)47(24-38-28-80-31-83-38)92-66(114)45(22-33(4)5)91-69(117)49(27-53(77)101)85-54(102)29-82-61(109)48(26-52(76)100)93-67(115)46(23-37-12-14-39(98)15-13-37)90-60(108)40(74)25-56(105)106/h12-15,28,31-36,40-50,57-58,97-98,122H,9-11,16-27,29-30,74H2,1-8H3,(H2,75,99)(H2,76,100)(H2,77,101)(H,80,83)(H,82,109)(H,84,110)(H,85,102)(H,86,111)(H,87,113)(H,88,116)(H,89,107)(H,90,108)(H,91,117)(H,92,114)(H,93,115)(H,94,119)(H,95,112)(H,96,118)(H,103,104)(H,105,106)(H,120,121)(H4,78,79,81)/t34-,35-,36+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,57-,58-/m0/s1
InChiKey: InChIKey=MIXWXCMTXIPLRB-SBGCTCINSA-N

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