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Substance Name: VD1-Rpd2 neuropeptide alpha2
RN: 157452-74-9
InChIKey: NIVFFXVQVIRWIS-RYZMZDQVSA-N

Note

  • Isolated from Lymnaea stagnalis.

Molecular Weight

  • 2995.37
 
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Names and Synonyms

Name of Substance

  • VD1-Rpd2 neuropeptide alpha2

Synonym

  • VD1-Rpd2 neuropeptide alpha(2)

Registry Numbers

CAS Registry Number

  • 157452-74-9

System Generated Number

  • 0157452749

Structure Descriptors

InChI

1S/C123H196N44O38S3/c1-13-58(6)93(163-104(188)71(27-20-35-139-123(132)133)154-115(199)95(61(9)169)165-117(201)97(63(11)171)166-116(200)96(62(10)170)164-114(198)92(57(4)5)162-105(189)73(31-37-208-12)151-99(183)67(124)42-91(180)181)112(196)144-51-90(179)161-94(60(8)168)113(197)143-47-86(175)140-48-87(176)149-74(38-56(2)3)106(190)147-59(7)98(182)141-49-88(177)148-69(25-18-33-137-121(128)129)101(185)159-80(52-206)110(194)153-72(29-30-83(125)172)103(187)155-76(40-65-45-134-54-145-65)108(192)157-78(41-66-46-135-55-146-66)119(203)205-120(204)79(44-85(127)174)158-107(191)75(39-64-22-15-14-16-23-64)150-89(178)50-142-111(195)82-28-21-36-167(82)118(202)81(53-207)160-109(193)77(43-84(126)173)156-102(186)70(26-19-34-138-122(130)131)152-100(184)68-24-17-32-136-68/h14-16,22-23,45-46,52,54-63,65-82,92-97,136,168-171,207H,13,17-21,24-44,47-51,53,124H2,1-12H3,(H2,125,172)(H2,126,173)(H2,127,174)(H,140,175)(H,141,182)(H,142,195)(H,143,197)(H,144,196)(H,147,190)(H,148,177)(H,149,176)(H,150,178)(H,151,183)(H,152,184)(H,153,194)(H,154,199)(H,155,187)(H,156,186)(H,157,192)(H,158,191)(H,159,185)(H,160,193)(H,161,179)(H,162,189)(H,163,188)(H,164,198)(H,165,201)(H,166,200)(H,180,181)(H4,128,129,137)(H4,130,131,138)(H4,132,133,139)/t58-,59-,60+,61+,62+,63+,65?,66?,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,92-,93-,94-,95-,96-,97-/m0/s1

InChIKey

NIVFFXVQVIRWIS-RYZMZDQVSA-N

Smiles

C([C@@H](NC([C@@H](NC(CNC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@@H](NC([C@H]1NCCC1)=O)CCCNC(=N)N)=O)CC(=O)N)=O)CS)=O)=O)=O)Cc1ccccc1)=O)CC(=O)N)(=O)OC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC(CNC(CNC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CC(=O)O)=O)CCSC)=O)C(C)C)=O)[C@@H](C)O)=O)[C@@H](C)O)=O)[C@@H](C)O)=O)CCCNC(=N)N)=O)[C@H](CC)C)=O)=O)[C@@H](C)O)=O)=O)=O)CC(C)C)=O)C)=O)=O)CCCNC(=N)N)=O)C=S)=O)CCC(=O)N)=O)C[C@@H]1C=NC=N1)=O)C[C@@H]1C=NC=N1)=O