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Substance Name: SJ 2176
RN: 150950-96-2
InChIKey: RMDZAIWAXNJRGM-RLZNOVOKSA-N

Molecular Formula

  • C165-H252-N48-O64-S

Molecular Weight

  • 3964.1438
 
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Names and Synonyms

Name of Substance

  • SJ 2176

Synonyms

  • Ac-EWDREINNYTSLIHSLIEESQNQQEKNEQEGGC-NH2
  • DP-219
  • GP160 (GP41) 637-666 AA
  • SJ-2176

Systematic Name

  • Ac-EWDREINNYTSLIHSLIEESQNQQEKNEQEGGC-NH2

Registry Numbers

CAS Registry Number

  • 150950-96-2

System Generated Number

  • 0150950962

Structure Descriptors

InChI

1S/C165H252N48O64S/c1-13-74(8)130(160(272)196-96(38-49-127(240)241)143(255)191-95(37-48-126(238)239)145(257)207-108(67-214)157(269)195-92(32-43-115(170)223)144(256)202-104(59-117(172)225)149(261)193-91(31-42-114(169)222)140(252)188-90(30-41-113(168)221)139(251)190-93(35-46-124(234)235)141(253)185-85(23-18-19-51-166)136(248)201-103(58-116(171)224)150(262)194-94(36-47-125(236)237)142(254)189-89(29-40-112(167)220)138(250)187-87(33-44-122(230)231)134(246)181-65-120(228)180-66-121(229)184-111(70-278)164(276)277)211-154(266)98(53-72(4)5)197-158(270)109(68-215)208-148(260)102(57-81-64-177-71-182-81)205-161(273)132(76(10)15-3)212-155(267)99(54-73(6)7)198-159(271)110(69-216)209-163(275)133(77(11)217)213-156(268)100(55-79-25-27-82(219)28-26-79)199-151(263)105(60-118(173)226)203-152(264)106(61-119(174)227)206-162(274)131(75(9)14-2)210-146(258)97(39-50-128(242)243)192-135(247)86(24-20-52-178-165(175)176)186-153(265)107(62-129(244)245)204-147(259)101(56-80-63-179-84-22-17-16-21-83(80)84)200-137(249)88(183-78(12)218)34-45-123(232)233/h16-17,21-22,25-28,63-64,71-77,85-111,130-133,179,214-217,219,278H,13-15,18-20,23-24,29-62,65-70,166H2,1-12H3,(H2,167,220)(H2,168,221)(H2,169,222)(H2,170,223)(H2,171,224)(H2,172,225)(H2,173,226)(H2,174,227)(H,177,182)(H,180,228)(H,181,246)(H,183,218)(H,184,229)(H,185,253)(H,186,265)(H,187,250)(H,188,252)(H,189,254)(H,190,251)(H,191,255)(H,192,247)(H,193,261)(H,194,262)(H,195,269)(H,196,272)(H,197,270)(H,198,271)(H,199,263)(H,200,249)(H,201,248)(H,202,256)(H,203,264)(H,204,259)(H,205,273)(H,206,274)(H,207,257)(H,208,260)(H,209,275)(H,210,258)(H,211,266)(H,212,267)(H,213,268)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,276,277)(H4,175,176,178)/t74-,75-,76-,77+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,130-,131-,132-,133-/m0/s1

InChIKey

RMDZAIWAXNJRGM-RLZNOVOKSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](CCC(=O)O)NC(=O)C