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Motilin (canine)

CAT: 0121-4014297.0500Size: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0121-4014297.0500Size:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
85490-53-5
Specifications
H-7680.0500
Sequence
H-Phe-Val-Pro-Ile-Phe-Thr-His-Ser-Glu-Leu-Gln-Lys-Ile-Arg-Glu-Lys-Glu-Arg-Asn-Lys-Gly-Gln-OH
Molecular Formula
C₁₂₀H₁₉₄N₃₆O₃₄
Molecular Weight
2685.08
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

L-Phenylalanyl-L-valyl-L-prolyl-L-isoleucyl-L-phenylalanyl-L-threonyl-L-histidyl-L-seryl-L-alpha-glutamyl-L-leucyl-L-glutaminyl-L-lysyl-L-isoleucyl-L-arginyl-L-alpha-glutamyl-L-lysyl-L-alpha-glutamyl-L-arginyl-L-asparaginyl-L-lysylglycyl-L-glutamine
CAS Number85490-53-5
PubChem CID155817406
IUPAC Name(2S)-5-amino-2-[[2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]acetyl]amino]-5-oxopentanoic acid
Molecular FormulaC120H194N36O34
Molecular Weight2685.0
XLogP-17.5
Topological Polar Surface Area1180
Hydrogen Bond Donor Count38
Hydrogen Bond Acceptor Count41
Rotatable Bond Count94
Heavy Atom Count190
Formal Charge0
Complexity5980
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CC=CC=C4)N
InChI
InChI=1S/C120H194N36O34/c1-10-64(7)95(114(185)146-75(35-25-51-134-120(130)131)101(172)143-77(39-44-91(163)164)104(175)139-72(32-19-22-48-122)100(171)142-78(40-45-92(165)166)105(176)141-74(34-24-50-133-119(128)129)102(173)148-84(57-89(127)161)110(181)138-71(31-18-21-47-121)99(170)135-59-90(162)137-80(118(189)190)38-43-88(126)160)153-107(178)73(33-20-23-49-123)140-103(174)76(37-42-87(125)159)144-108(179)81(53-62(3)4)147-106(177)79(41-46-93(167)168)145-112(183)85(60-157)151-109(180)83(56-69-58-132-61-136-69)150-116(187)97(66(9)158)155-111(182)82(55-68-29-16-13-17-30-68)149-115(186)96(65(8)11-2)154-113(184)86-36-26-52-156(86)117(188)94(63(5)6)152-98(169)70(124)54-67-27-14-12-15-28-67/h12-17,27-30,58,61-66,70-86,94-97,157-158H,10-11,18-26,31-57,59-60,121-124H2,1-9H3,(H2,125,159)(H2,126,160)(H2,127,161)(H,132,136)(H,135,170)(H,137,162)(H,138,181)(H,139,175)(H,140,174)(H,141,176)(H,142,171)(H,143,172)(H,144,179)(H,145,183)(H,146,185)(H,147,177)(H,148,173)(H,149,186)(H,150,187)(H,151,180)(H,152,169)(H,153,178)(H,154,184)(H,155,182)(H,163,164)(H,165,166)(H,167,168)(H,189,190)(H4,128,129,133)(H4,130,131,134)/t64-,65-,66+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,94-,95-,96-,97-/m0/s1
InChIKey
UXNMKJPZQNQTMI-CSRYRKIZSA-N
Chemical Structure
2D Structure
2D structure of L-Phenylalanyl-L-valyl-L-prolyl-L-isoleucyl-L-phenylalanyl-L-threonyl-L-histidyl-L-seryl-L-alpha-glutamyl-L-leucyl-L-glutaminyl-L-lysyl-L-isoleucyl-L-arginyl-L-alpha-glutamyl-L-lysyl-L-alpha-glutamyl-L-arginyl-L-asparaginyl-L-lysylglycyl-L-glutamine
CAS: 85490-53-5
CID: 155817406
Formula: C120H194N36O34
MW: 2685.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2685.0
XLogP3-17.5
Hydrogen Bond Donor Count38
Hydrogen Bond Acceptor Count41
Rotatable Bond Count94
Exact Mass2684.4591722
Monoisotopic Mass2683.4558174
Topological Polar Surface Area1180 Ų
Heavy Atom Count190
Formal Charge0
Complexity5980
Isotope Atom Count0
Defined Atom Stereocenter Count24
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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