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Substance Name: Tachyplesin II
RN: 125139-69-7
InChIKey: VMAGWLOHJBPKIA-DAESJHERSA-N

Molecular Weight

  • 2262.78
 
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Names and Synonyms

  • Tachyplesin II

Registry Numbers

CAS Registry Number

  • 125139-69-7

System Generated Number

  • 0125139697

Structure Descriptors

InChI

1S/C100H152N34O19S4/c1-6-54(4)80-95(153)132-77-52-157-156-51-76(92(150)127-71(44-57-29-33-60(136)34-30-57)86(144)121-66(26-16-40-115-98(107)108)82(140)119-48-78(138)133-80)131-94(152)79(53(2)3)134-85(143)69(28-18-42-117-100(111)112)124-87(145)70(43-56-19-8-7-9-20-56)126-91(149)75(130-89(147)73(46-59-47-118-65-23-11-10-21-62(59)65)125-81(139)63(102)22-14-38-113-96(103)104)50-155-154-49-74(90(148)120-64(55(5)135)25-15-39-114-97(105)106)129-84(142)67(24-12-13-37-101)122-83(141)68(27-17-41-116-99(109)110)123-88(146)72(128-93(77)151)45-58-31-35-61(137)36-32-58/h7-11,19-21,23,29-36,47,53-54,63-64,66-77,79-80,118,136-137H,6,12-18,22,24-28,37-46,48-52,101-102H2,1-5H3,(H,119,140)(H,120,148)(H,121,144)(H,122,141)(H,123,146)(H,124,145)(H,125,139)(H,126,149)(H,127,150)(H,128,151)(H,129,142)(H,130,147)(H,131,152)(H,132,153)(H,133,138)(H,134,143)(H4,103,104,113)(H4,105,106,114)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)/t54-,63-,64-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,79-,80-/m0/s1

InChIKey

VMAGWLOHJBPKIA-DAESJHERSA-N

Smiles

S1SC[C@@H]2NC([C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC([C@@H](NC([C@H](Cc3c4c([nH]c3)cccc4)NC([C@H](CCCNC(N)=N)N)=O)=O)CSSC[C@H](NC([C@@H](NC([C@@H](NC([C@H](Cc3ccc(O)cc3)NC([C@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC2=O)Cc2ccc(O)cc2)=O)CCCNC(N)=N)=O)=O)[C@H](CC)C)=O)C1)=O)=O)CCCNC(N)=N)=O)CCCCN)=O)C(=O)N[C@@H](CCCNC(N)=N)C(C)=O)=O)Cc1ccccc1)C(C)C)=O