L-Histidyl-L-alanyl-L-alpha-aspartyl-L-alanyl-L-valyl-L-phenylalanyl-L-threonyl-L-alanyl-L-alanyl-L-tyrosyl-L-alanyl-L-arginyl-L-leucyl-L-arginyl-L-lysyl-L-glutaminyl-L-methionyl-L-alanyl-L-alanyl-L-lysyl-L-lysyl-L-alanyl-L-leucyl-L-alanyl-L-alanyl-L-isoleucyl-L-alanyl-L-alaninamide
[CAS# 866552-34-3]

Identification

• Name: L-Histidyl-L-alanyl-L-alpha-aspartyl-L-alanyl-L-valyl-L-phenylalanyl-L-threonyl-L-alanyl-L-alanyl-L-tyrosyl-L-alanyl-L-arginyl-L-leucyl-L-arginyl-L-lysyl-L-glutaminyl-L-methionyl-L-alanyl-L-alanyl-L-lysyl-L-lysyl-L-alanyl-L-leucyl-L-alanyl-L-alanyl-L-isoleucyl-L-alanyl-L-alaninamide
• Synonyms: [Ala2,8,9,11,19,22,24,25,27,28]-VIP
• Molecular Formula: C₁₃₁H₂₁₈N₄₁O₃₃S
• Molecular Weight: 2928.46
• CAS Registry Number: 866552-34-3
• SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CNC=N3)N
• InChI: 1S/C131H219N41O33S/c1-23-66(8)100(128(204)156-70(12)103(179)146-67(9)102(137)178)171-113(189)77(19)149-105(181)69(11)153-122(198)92(55-63(2)3)165-111(187)76(18)152-115(191)85(37-27-30-49-132)160-117(193)86(38-28-31-50-133)158-107(183)72(14)147-104(180)68(10)151-116(192)91(48-54-206-22)164-121(197)90(46-47-97(136)175)163-118(194)87(39-29-32-51-134)161-119(195)89(41-34-53-144-131(140)141)162-125(201)93(56-64(4)5)168-120(196)88(40-33-52-143-130(138)139)159-108(184)75(17)154-123(199)94(58-81-42-44-83(174)45-43-81)166-109(185)73(15)148-106(182)71(13)157-129(205)101(79(21)173)172-126(202)95(57-80-35-25-24-26-36-80)169-127(203)99(65(6)7)170-112(188)78(20)155-124(200)96(60-98(176)177)167-110(186)74(16)150-114(190)84(135)59-82-61-142-62-145-82/h24-26,35-36,42-45,61-79,84-96,99-101,173-174H,23,27-34,37-41,46-60,132-135H2,1-22H3,(H2,136,175)(H2,137,178)(H,142,145)(H,146,179)(H,147,180)(H,148,182)(H,149,181)(H,150,190)(H,151,192)(H,152,191)(H,153,198)(H,154,199)(H,155,200)(H,156,204)(H,157,205)(H,158,183)(H,159,184)(H,160,193)(H,161,195)(H,162,201)(H,163,194)(H,164,197)(H,165,187)(H,166,185)(H,167,186)(H,168,196)(H,169,203)(H,170,188)(H,171,189)(H,172,202)(H,176,177)(H4,138,139,143)(H4,140,141,144)/t66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,99-,100-,101-/m0/s1
• InChIKey: JYMHULBACVSUKX-MPSMHQQTSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Refractive index: 1.645 (Cal.)
• solubility: Soluble to 2 mg/ml in 10% acetonitrile