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Neuropeptide GE

CAT: 0926-FN109300-01Size: 2 mgDry Ice: NoHazardous: No
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
134748-04-2
Synonyms
H-Gly-Ser-Val-Ala-Phe-Pro-Ala-Glu-Asn-Gly-Val-Gln-Asn-Thr-Glu-Ser-Thr-Gln-Glu-OH; H-GSVAFPAENGVQNTESTQE-OH
MDL Number
MFCD02265663
Smiles
C[C@H] ([C@@H] (C (=O) N[C@@H] (CCC (=O) O) C (=O) N[C@@H] (CO) C (=O) N[C@@H] ([C@@H] (C) O) C (=O) N[C@@H] (CCC (=O) N) C (=O) N[C@@H] (CCC (=O) O) C (=O) O) NC (=O) [C@H] (CC (=O) N) NC (=O) [C@H] (CCC (=O) N) NC (=O) [C@H] (C (C) C) NC (=O) CNC (=O) [C@H] (CC (=O) N) NC (=O) [C@H] (CCC (=O) O) NC (=O) [C@H] (C) NC (=O) [C@@H]1CCCN1C (=O) [C@H] (CC2=CC=CC=C2) NC (=O) [C@H] (C) NC (=O) [C@H] (C (C) C) NC (=O) [C@H] (CO) NC (=O) CN) O
Molecular Formula
C81H125N23O34
Molecular Weight
1,964.99 g/mol
Controlled
No

Chemical Information

Neuropeptide GE
CAS Number134748-04-2
PubChem CID16180048
IUPAC Name(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]pentanedioic acid
Molecular FormulaC81H125N23O34
Molecular Weight1965.0
XLogP-14.8
Topological Polar Surface Area944
Hydrogen Bond Donor Count30
Hydrogen Bond Acceptor Count35
Rotatable Bond Count63
Heavy Atom Count138
Formal Charge0
Complexity4380
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)CN)O
InChI
InChI=1S/C81H125N23O34/c1-34(2)61(77(133)92-42(17-22-53(84)110)69(125)97-47(29-55(86)112)72(128)102-63(38(7)107)78(134)94-44(19-24-59(117)118)71(127)99-50(33-106)74(130)103-64(39(8)108)79(135)93-41(16-21-52(83)109)68(124)95-45(81(137)138)20-25-60(119)120)100-57(114)31-87-67(123)46(28-54(85)111)96-70(126)43(18-23-58(115)116)91-65(121)36(5)88-75(131)51-15-12-26-104(51)80(136)48(27-40-13-10-9-11-14-40)98-66(122)37(6)89-76(132)62(35(3)4)101-73(129)49(32-105)90-56(113)30-82/h9-11,13-14,34-39,41-51,61-64,105-108H,12,15-33,82H2,1-8H3,(H2,83,109)(H2,84,110)(H2,85,111)(H2,86,112)(H,87,123)(H,88,131)(H,89,132)(H,90,113)(H,91,121)(H,92,133)(H,93,135)(H,94,134)(H,95,124)(H,96,126)(H,97,125)(H,98,122)(H,99,127)(H,100,114)(H,101,129)(H,102,128)(H,103,130)(H,115,116)(H,117,118)(H,119,120)(H,137,138)/t36-,37-,38+,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,61-,62-,63-,64-/m0/s1
InChIKey
KZNJHPULEYPZBD-LMXVNMMBSA-N
Chemical Structure
2D Structure
2D structure of Neuropeptide GE
CAS: 134748-04-2
CID: 16180048
Formula: C81H125N23O34
MW: 1965.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1965.0
XLogP3-14.8
Hydrogen Bond Donor Count30
Hydrogen Bond Acceptor Count35
Rotatable Bond Count63
Exact Mass1963.8759281
Monoisotopic Mass1963.8759281
Topological Polar Surface Area944 Ų
Heavy Atom Count138
Formal Charge0
Complexity4380
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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N2176-60BNeuropeptide Y (NPY, Neuropeptide Tyrosine, Neuropeptide Y Precursor, PYY4, Y Neuropeptide) (Not for Export EU)
N2176-62ZNeuropeptide Tyrosine, Human (Neuropeptide Y, NPY)
487128NPY (Pro-Neuropeptide Y, Neuropeptide Y)
N2175-97CNeuropeptide EI (Neuropeptide-Glutamic Acid-Isoleucine, Neuropeptide E-I, NEI)
B5386-1Neuropeptide FF
HY-P2135Neuropeptide AF1
H-4572.0500Neuropeptide GE
H-7455.1000Neuropeptide g

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