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Ac-a-CGRP (19-37) (human)

CAT: 1410-M41009Size: 1 EachDry Ice: NoHazardous: No
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Description
Ac-a-CGRP (19-37) (human)
CAS Number
145459-34-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1963.24
Molecular Formula
C88H139N25O26
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

AC-Ser-gly-gly-val-val-lys-asn-asn-phe-val-pro-thr-asn-val-gly-ser-lys-ala-phe-NH2
CAS Number145459-34-3
PubChem CID90470081
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-6-aminohexanoyl]amino]-N-[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]butanediamide
Molecular FormulaC88H139N25O26
Molecular Weight1963.2
XLogP-7.3
Topological Polar Surface Area829
Hydrogen Bond Donor Count27
Hydrogen Bond Acceptor Count28
Rotatable Bond Count62
Heavy Atom Count139
Formal Charge0
Complexity4220
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)C)O
InChI
InChI=1S/C88H139N25O26/c1-43(2)68(84(135)97-40-66(122)100-60(42-115)82(133)101-52(27-18-20-30-89)76(127)98-47(9)74(125)103-54(73(94)124)33-50-23-14-12-15-24-50)109-81(132)58(37-64(93)120)107-87(138)72(48(10)116)112-83(134)61-29-22-32-113(61)88(139)71(46(7)8)111-80(131)55(34-51-25-16-13-17-26-51)104-78(129)57(36-63(92)119)106-79(130)56(35-62(91)118)105-77(128)53(28-19-21-31-90)102-85(136)70(45(5)6)110-86(137)69(44(3)4)108-67(123)39-95-65(121)38-96-75(126)59(41-114)99-49(11)117/h12-17,23-26,43-48,52-61,68-72,114-116H,18-22,27-42,89-90H2,1-11H3,(H2,91,118)(H2,92,119)(H2,93,120)(H2,94,124)(H,95,121)(H,96,126)(H,97,135)(H,98,127)(H,99,117)(H,100,122)(H,101,133)(H,102,136)(H,103,125)(H,104,129)(H,105,128)(H,106,130)(H,107,138)(H,108,123)(H,109,132)(H,110,137)(H,111,131)(H,112,134)/t47-,48+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,68-,69-,70-,71-,72-/m0/s1
InChIKey
YDXWYGPSWGKXGU-BGLXGWFVSA-N
Chemical Structure
2D Structure
2D structure of AC-Ser-gly-gly-val-val-lys-asn-asn-phe-val-pro-thr-asn-val-gly-ser-lys-ala-phe-NH2
CAS: 145459-34-3
CID: 90470081
Formula: C88H139N25O26
MW: 1963.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1963.2
XLogP3-7.3
Hydrogen Bond Donor Count27
Hydrogen Bond Acceptor Count28
Rotatable Bond Count62
Exact Mass1962.0323096
Monoisotopic Mass1962.0323096
Topological Polar Surface Area829 Ų
Heavy Atom Count139
Formal Charge0
Complexity4220
Isotope Atom Count0
Defined Atom Stereocenter Count17
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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