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Substance Name: Sarafotoxin S 6c
RN: 121695-87-2
InChIKey: LXPHPKVWHQLBBA-UHFFFAOYSA-N

Molecular Formula

  • C103-H147-N27-O37-S5

Molecular Weight

  • 2515.7763
 
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Names and Synonyms

Synonyms

  • Endothelin 1 (pig), 2-L-threonine-4-L-asparagine-5-L-aspartic acid-6-L-methionine-7-L-threonine-9-L-glutamic acid-12-L-leucine-13-L-asparagine-17-L-glutamine-19-L-valine-
  • Sarafotoxin 6c
  • Sarafotoxin S6c

Systematic Name

  • Sarafotoxin S 6c

Registry Numbers

CAS Registry Number

  • 121695-87-2

System Generated Number

  • 0121695872

Structure Descriptors

InChI

1S/C103H147N27O37S5/c1-10-46(6)80(100(163)123-67(103(166)167)30-50-37-109-54-19-15-14-18-52(50)54)128-99(162)79(45(4)5)127-95(158)66(36-78(144)145)120-85(148)55(20-23-71(105)133)112-90(153)61(31-51-38-108-43-110-51)117-97(160)69-40-170-169-39-53(104)83(146)129-81(47(7)131)102(165)126-70-42-172-171-41-68(96(159)115-59(28-44(2)3)88(151)118-62(32-72(106)134)91(154)116-60(89(152)125-69)29-49-16-12-11-13-17-49)124-86(149)57(22-25-75(138)139)111-84(147)56(21-24-74(136)137)113-94(157)65(35-77(142)143)122-101(164)82(48(8)132)130-87(150)58(26-27-168-9)114-93(156)64(34-76(140)141)121-92(155)63(33-73(107)135)119-98(70)161/h11-19,37-38,43-48,53,55-70,79-82,109,131-132H,10,20-36,39-42,104H2,1-9H3,(H2,105,133)(H2,106,134)(H2,107,135)(H,108,110)(H,111,147)(H,112,153)(H,113,157)(H,114,156)(H,115,159)(H,116,154)(H,117,160)(H,118,151)(H,119,161)(H,120,148)(H,121,155)(H,122,164)(H,123,163)(H,124,149)(H,125,152)(H,126,165)(H,127,158)(H,128,162)(H,129,146)(H,130,150)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H,166,167)

InChIKey

LXPHPKVWHQLBBA-UHFFFAOYSA-N

Smiles

CCC(C)C(C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(Cc3cnc[nH]3)NC(=O)C4CSSCC(C(=O)NC(C(=O)NC5CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4)Cc6ccccc6)CC(=O)N)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC5=O)CC(=O)N)CC(=O)O)CCSC)C(C)O)CC(=O)O)CCC(=O)O)CCC(=O)O)C(C)O)N