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Substance Name: Helospectin II
RN: 93585-83-2
InChIKey: LKDLKXMXYPSIRO-ZXFPMOGVSA-N

Note

  • Identical to helospectin I except for serine 38.

Molecular Formula

  • C180-H288-N46-O57

Molecular Weight

  • 4008.5202
 
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Names and Synonyms

Name of Substance

  • Helospectin II

Systematic Name

  • Helospectin I, 38-de-L-serine-

Registry Numbers

CAS Registry Number

  • 93585-83-2

System Generated Number

  • 0093585832

Structure Descriptors

InChI

1S/C180H288N46O57/c1-22-93(14)140(172(275)212-115(66-87(2)3)149(252)190-78-136(240)196-125(79-227)165(268)217-129(83-231)169(272)223-143(100(21)236)175(278)218-130(84-232)177(280)224-63-33-42-132(224)170(273)203-114(41-32-62-189-180(186)187)176(279)226-65-35-44-134(226)178(281)225-64-34-43-133(225)171(274)219-131(85-233)179(282)283)220-168(271)128(82-230)215-155(258)113(55-58-138(243)244)202-160(263)119(70-91(10)11)208-162(265)121(73-102-45-49-105(237)50-46-102)209-152(255)109(39-27-30-60-182)199-153(256)111(53-56-135(185)239)201-159(262)118(69-90(8)9)204-146(249)95(16)193-156(259)116(67-88(4)5)205-150(253)108(38-26-29-59-181)197-144(247)94(15)192-157(260)117(68-89(6)7)207-161(264)120(71-92(12)13)206-151(254)110(40-28-31-61-183)200-166(269)127(81-229)216-163(266)122(74-103-47-51-106(238)52-48-103)210-154(257)112(54-57-137(241)242)198-145(248)96(17)195-173(276)141(98(19)234)222-164(267)123(72-101-36-24-23-25-37-101)213-174(277)142(99(20)235)221-147(250)97(18)194-158(261)124(76-139(245)246)211-167(270)126(80-228)214-148(251)107(184)75-104-77-188-86-191-104/h23-25,36-37,45-52,77,86-100,107-134,140-143,227-238H,22,26-35,38-44,53-76,78-85,181-184H2,1-21H3,(H2,185,239)(H,188,191)(H,190,252)(H,192,260)(H,193,259)(H,194,261)(H,195,276)(H,196,240)(H,197,247)(H,198,248)(H,199,256)(H,200,269)(H,201,262)(H,202,263)(H,203,273)(H,204,249)(H,205,253)(H,206,254)(H,207,264)(H,208,265)(H,209,255)(H,210,257)(H,211,270)(H,212,275)(H,213,277)(H,214,251)(H,215,258)(H,216,266)(H,217,268)(H,218,278)(H,219,274)(H,220,271)(H,221,250)(H,222,267)(H,223,272)(H,241,242)(H,243,244)(H,245,246)(H,282,283)(H4,186,187,189)/t93-,94-,95-,96-,97-,98+,99+,100+,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,140-,141-,142-,143-/m0/s1

InChIKey

LKDLKXMXYPSIRO-ZXFPMOGVSA-N

Smiles

[H]/N=C(\N)/NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc5ccc(cc5)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc6ccccc6)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc7cnc[nH]7)N