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(Ser (Ac) ³) -Ghrelin (mouse, rat)

CAT: 0121-4095528.1000Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0121-4095528.1000Size:1 mg
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CAS Number
321974-76-9
Specifications
H-7638.1000
Sequence
H-Gly-Ser-Ser (Ac) -Phe-Leu-Ser-Pro-Glu-His-Gln-Lys-Ala-Gln-Gln-Arg-Lys-Glu-Ser-Lys-Lys-Pro-Pro-Ala-Lys-Leu-Gln-Pro-Arg-OH
Molecular Formula
C₁₄₁H₂₃₃N₄₅O₄₂
Molecular Weight
3230.64
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

H-GSS(Ac) FLSPEHQKAQQRKESKKPPAKLQPR-OH
CAS Number321974-76-9
PubChem CID131852423
IUPAC Name(4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-acetyloxy-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[(2S)-2-[(2S)-2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[(2S)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC141H233N45O42
Molecular Weight3230.6
XLogP-21.7
Topological Polar Surface Area1430
Hydrogen Bond Donor Count46
Hydrogen Bond Acceptor Count51
Rotatable Bond Count113
Heavy Atom Count228
Formal Charge0
Complexity7490
SMILES
C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](COC(=O)C)NC(=O)[C@H](CO)NC(=O)CN
InChI
InChI=1S/C141H233N45O42/c1-74(2)63-94(125(212)174-92(43-49-109(151)194)136(223)183-59-23-38-104(183)134(221)175-93(139(226)227)35-22-58-158-141(154)155)176-119(206)82(30-12-17-53-143)163-114(201)77(6)161-132(219)102-36-25-61-185(102)138(225)105-39-26-62-186(105)135(222)91(33-15-20-56-146)173-118(205)84(32-14-19-55-145)168-130(217)99(70-188)180-124(211)89(44-50-111(196)197)170-116(203)83(31-13-18-54-144)166-117(204)85(34-21-57-157-140(152)153)167-121(208)87(41-47-107(149)192)169-120(207)86(40-46-106(148)191)164-113(200)76(5)160-115(202)81(29-11-16-52-142)165-122(209)88(42-48-108(150)193)171-128(215)97(66-80-68-156-73-159-80)179-123(210)90(45-51-112(198)199)172-133(220)103-37-24-60-184(103)137(224)100(71-189)181-126(213)95(64-75(3)4)177-127(214)96(65-79-27-9-8-10-28-79)178-131(218)101(72-228-78(7)190)182-129(216)98(69-187)162-110(195)67-147/h8-10,27-28,68,73-77,81-105,187-189H,11-26,29-67,69-72,142-147H2,1-7H3,(H2,148,191)(H2,149,192)(H2,150,193)(H2,151,194)(H,156,159)(H,160,202)(H,161,219)(H,162,195)(H,163,201)(H,164,200)(H,165,209)(H,166,204)(H,167,208)(H,168,217)(H,169,207)(H,170,203)(H,171,215)(H,172,220)(H,173,205)(H,174,212)(H,175,221)(H,176,206)(H,177,214)(H,178,218)(H,179,210)(H,180,211)(H,181,213)(H,182,216)(H,196,197)(H,198,199)(H,226,227)(H4,152,153,157)(H4,154,155,158)/t76-,77-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-/m0/s1
InChIKey
PVUQFWJPNDEXQR-JSWMMTSZSA-N
Chemical Structure
2D Structure
2D structure of H-GSS(Ac) FLSPEHQKAQQRKESKKPPAKLQPR-OH
CAS: 321974-76-9
CID: 131852423
Formula: C141H233N45O42
MW: 3230.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3230.6
XLogP3-21.7
Hydrogen Bond Donor Count46
Hydrogen Bond Acceptor Count51
Rotatable Bond Count113
Exact Mass3229.7513315
Monoisotopic Mass3228.7479766
Topological Polar Surface Area1430 Ų
Heavy Atom Count228
Formal Charge0
Complexity7490
Isotope Atom Count0
Defined Atom Stereocenter Count27
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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