(Q110172915)

English

vaby E

group of stereoisomers with the chemical formula C₁₂₆H₁₈₄N₃₆O₄₁S₆

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Statements

group of stereoisomers

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chemical compound

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3,049.174395308 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₂₆H₁₈₄N₃₆O₄₁S₆

0 references

canonical SMILES

O=C(O)CCC1NC(=O)CNC(=O)C2NC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C4NC(=O)C(NC(=O)C5N(C(=O)C(NC(=O)C6N(C(=O)C(NC(=O)C7NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C8N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(O)C)CSSC7)CC=9C=CC=CC9)C(O)C)CSSC4)CC(=O)N)C(O)C)CCC8)CSSC2)CO)CC(=O)O)CCC6)CC%10=CNC=%11C=CC=CC%11%10)CCC5)C(C)C)C(O)C)CCCNC(=N)N)CC(=O)N)CC(C)C)CCC3)C(C)C

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Viola abyssinica

1 reference

Cyclotides from an extreme habitat: characterization of cyclic peptides from Viola abyssinica of the Ethiopian highlands

Identifiers

InChI=1S/C126H184N36O41S6/c1-56(2)37-72-122(200)160-34-19-28-84(160)115(193)154-95(57(3)4)117(195)149-76-50-204-205-51-77-108(186)147-75(49-163)107(185)148-78-52-206-207-53-79(152-121(199)99(61(9)166)156-105(183)68(30-31-93(175)176)138-89(171)46-136-103(76)181)109(187)142-69(38-63-21-12-11-13-22-63)101(179)134-44-88(170)133-45-92(174)153-97(59(7)164)119(197)151-80(110(188)144-71(41-87(128)169)106(184)158-100(62(10)167)125(203)162-36-17-26-82(162)113(191)137-48-91(173)140-77)54-208-209-55-81(112(190)157-98(60(8)165)120(198)141-67(25-16-32-131-126(129)130)104(182)143-70(40-86(127)168)102(180)135-47-90(172)139-72)150-118(196)96(58(5)6)155-116(194)85-29-20-35-161(85)123(201)73(39-64-43-132-66-24-15-14-23-65(64)66)146-114(192)83-27-18-33-159(83)124(202)74(42-94(177)178)145-111(78)189/h11-15,21-24,43,56-62,67-85,95-100,132,163-167H,16-20,25-42,44-55H2,1-10H3,(H2,127,168)(H2,128,169)(H,133,170)(H,134,179)(H,135,180)(H,136,181)(H,137,191)(H,138,171)(H,139,172)(H,140,173)(H,141,198)(H,142,187)(H,143,182)(H,144,188)(H,145,189)(H,146,192)(H,147,186)(H,148,185)(H,149,195)(H,150,196)(H,151,197)(H,152,199)(H,153,174)(H,154,193)(H,155,194)(H,156,183)(H,157,190)(H,158,184)(H,175,176)(H,177,178)(H4,129,130,131)

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FEQIWRDQTOAOES-UHFFFAOYSA-N

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2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

FEQIWRDQTOAOES-UHFFFAOYSA-N

UniChem compound ID

1 reference

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