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Substance Name: PHI 27
RN: 80458-29-3
InChIKey: HVIBDEARFMWSND-WNKXUTMESA-N

Molecular Formula

  • C136-H216-N36-O40

Molecular Weight

  • 2995.4144
 
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Names and Synonyms

Name of Substance

  • PHI 27

Synonym

  • PHI 27

Systematic Name

  • L-Isolecucinamide, L-histidyl-L-alanyl-L-alpha-aspartylglycyl-L-valyl-L-phenylalanyl-L-threonyl-L-seryl-L-alpha-aspartyl-L-phenylalanyl-L-seryl-L-arginyl-L-leucyl-L-leucylglycyl-L-glutaminyl-L-leucyl-L-seryl-L-alanyl-L-lysyl-L-lysyl-L-tyrosyl-L-leucyl-L-alpha-glutamyl-L-seryl-L-leucyl-

Registry Numbers

CAS Registry Number

  • 80458-29-3

System Generated Number

  • 0080458293

Structure Descriptors

InChI

1S/C136H216N36O40/c1-18-73(14)109(111(141)188)171-128(205)92(52-71(10)11)161-132(209)100(64-175)166-121(198)87(42-44-105(182)183)155-122(199)89(49-68(4)5)160-125(202)94(55-79-37-39-81(178)40-38-79)162-118(195)84(35-26-28-46-138)153-117(194)83(34-25-27-45-137)152-112(189)75(16)150-130(207)98(62-173)167-124(201)91(51-70(8)9)159-120(197)86(41-43-102(140)179)151-103(180)60-146-115(192)88(48-67(2)3)157-123(200)90(50-69(6)7)158-119(196)85(36-29-47-145-136(142)143)154-131(208)99(63-174)168-126(203)93(53-77-30-21-19-22-31-77)163-127(204)97(58-107(186)187)164-133(210)101(65-176)169-135(212)110(76(17)177)172-129(206)95(54-78-32-23-20-24-33-78)165-134(211)108(72(12)13)170-104(181)61-147-116(193)96(57-106(184)185)156-113(190)74(15)149-114(191)82(139)56-80-59-144-66-148-80/h19-24,30-33,37-40,59,66-76,82-101,108-110,173-178H,18,25-29,34-36,41-58,60-65,137-139H2,1-17H3,(H2,140,179)(H2,141,188)(H,144,148)(H,146,192)(H,147,193)(H,149,191)(H,150,207)(H,151,180)(H,152,189)(H,153,194)(H,154,208)(H,155,199)(H,156,190)(H,157,200)(H,158,196)(H,159,197)(H,160,202)(H,161,209)(H,162,195)(H,163,204)(H,164,210)(H,165,211)(H,166,198)(H,167,201)(H,168,203)(H,169,212)(H,170,181)(H,171,205)(H,172,206)(H,182,183)(H,184,185)(H,186,187)(H4,142,143,145)/t73-,74-,75-,76+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,108-,109-,110-/m0/s1

InChIKey

HVIBDEARFMWSND-WNKXUTMESA-N

Smiles

[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)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)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc4cnc[nH]4)N