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Ac-ACTH (1-17)

CAT: 1601-CCP1739-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1601-CCP1739-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Peptide to Ac-ACTH (1-17)
CAS Number
197906-63-1
Structure Composition
Ac-Ser-Tyr-Ser-Met-Glu-His-Phe-Arg-Trp-Gly-Lys-Pro-Val-Gly-Lys-Lys-Arg
Purity
> 95%
Form
Lyophilized powder
Molecular Formula
C97H147N29O24S
Molecular Weight
2135.5
Storage Conditions
Shipped at 4°C. Store at -20°C for one year.
Light Source
Synthetic

Chemical Information

Acetyl-ACTH (1-17)
CAS Number197906-63-1
PubChem CID131697998
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC97H147N29O24S
Molecular Weight2135.5
XLogP-8.6
Topological Polar Surface Area893
Hydrogen Bond Donor Count32
Hydrogen Bond Acceptor Count31
Rotatable Bond Count72
Heavy Atom Count151
Formal Charge0
Complexity4440
SMILES
CC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CNC=N5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CO)NC(=O)C
InChI
InChI=1S/C97H147N29O24S/c1-54(2)80(93(147)110-50-77(131)113-63(23-10-13-36-98)82(136)115-64(24-11-14-37-99)83(137)119-69(95(149)150)27-17-40-107-97(103)104)125-92(146)76-28-18-41-126(76)94(148)68(25-12-15-38-100)114-78(132)49-109-81(135)72(45-58-47-108-62-22-9-8-21-61(58)62)122-84(138)65(26-16-39-106-96(101)102)116-87(141)70(43-56-19-6-5-7-20-56)120-89(143)73(46-59-48-105-53-111-59)123-85(139)66(33-34-79(133)134)117-86(140)67(35-42-151-4)118-91(145)75(52-128)124-88(142)71(44-57-29-31-60(130)32-30-57)121-90(144)74(51-127)112-55(3)129/h5-9,19-22,29-32,47-48,53-54,63-76,80,108,127-128,130H,10-18,23-28,33-46,49-52,98-100H2,1-4H3,(H,105,111)(H,109,135)(H,110,147)(H,112,129)(H,113,131)(H,114,132)(H,115,136)(H,116,141)(H,117,140)(H,118,145)(H,119,137)(H,120,143)(H,121,144)(H,122,138)(H,123,139)(H,124,142)(H,125,146)(H,133,134)(H,149,150)(H4,101,102,106)(H4,103,104,107)/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,80-/m0/s1
InChIKey
SFSKMEKRGBAVMN-CQIJVBBXSA-N
Chemical Structure
2D Structure
2D structure of Acetyl-ACTH (1-17)
CAS: 197906-63-1
CID: 131697998
Formula: C97H147N29O24S
MW: 2135.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2135.5
XLogP3-8.6
Hydrogen Bond Donor Count32
Hydrogen Bond Acceptor Count31
Rotatable Bond Count72
Exact Mass2135.0928027
Monoisotopic Mass2134.0894478
Topological Polar Surface Area893 Ų
Heavy Atom Count151
Formal Charge0
Complexity4440
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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