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GRP (Human)

CAT: 0926-PGR-4164-VSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0926-PGR-4164-VSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
93755-85-2
Synonyms
Val-Pro-Leu-Pro-Ala-Gly-Gly-Gly-Thr-Val-Leu-Thr-Lys-Met-Tyr-Pro-Arg-Gly-Asn-His-Trp-Ala-Val-Gly-His-Leu-Met-NH2 Gastrin Releasing Pe ptide (Human)
Smiles
CC (C) CC (C (=O) NC (CCSC) C (=O) N) NC (=O) C (CC1=CNC=N1) NC (=O) CNC (=O) C (C (C) C) NC (=O) C (C) NC (=O) C (CC2=CNC3=CC=CC=C32) NC (=O) C (CC4=CNC=N4) NC (=O) C (CC (=O) N) NC (=O) CNC (=O) C (CCCNC (=N) N) NC (=O) C5CCCN5C (=O) C (CC6=CC=C (C=C6) O) NC (=O) C (CCSC) NC (=O) C (CCCCN) NC (=O) C (C (C) O) NC (=O) C (CC (C) C) NC (=O) C (C (C) C) NC (=O) C (C (C) O) NC (=O) CNC (=O) CNC (=O) CNC (=O) C (C) NC (=O) C7CCCN7C (=O) C (CC (C) C) NC (=O) C8CCCN8C (=O) C (C (C) C) N.C (=O) (C (F) (F) F) O
Molecular Formula
C130H204N38O31S2
Molecular Weight
2,859.4 g/mol
Controlled
No

Chemical Information

Gastrin-Releasing Peptide, human
CAS Number93755-85-2
PubChem CID23185015
IUPAC Name2-[[2-[[2-[[1-[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[1-[2-[[1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-N-[1-[[1-[[1-[[1-[[2-[[1-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]butanediamide
Molecular FormulaC130H204N38O31S2
Molecular Weight2859.4
XLogP-2.2
Topological Polar Surface Area1110
Hydrogen Bond Donor Count36
Hydrogen Bond Acceptor Count38
Rotatable Bond Count86
Heavy Atom Count201
Formal Charge0
Complexity6470
SMILES
CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CNC=N1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CNC=N4)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C5CCCN5C(=O)C(CC6=CC=C(C=C6)O)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C7CCCN7C(=O)C(CC(C)C)NC(=O)C8CCCN8C(=O)C(C(C)C)N
InChI
InChI=1S/C130H204N38O31S2/c1-65(2)47-86(115(185)152-82(108(134)178)38-45-200-17)156-116(186)89(52-77-56-137-63-146-77)150-101(176)62-145-123(193)104(69(9)10)163-110(180)72(14)148-114(184)88(51-76-55-140-81-28-20-19-27-80(76)81)157-117(187)90(53-78-57-138-64-147-78)158-118(188)91(54-97(132)172)151-100(175)61-144-111(181)83(30-23-41-139-130(135)136)154-121(191)95-32-25-43-167(95)128(198)93(50-75-34-36-79(171)37-35-75)160-113(183)85(39-46-201-18)153-112(182)84(29-21-22-40-131)155-125(195)107(74(16)170)165-119(189)87(48-66(3)4)159-124(194)105(70(11)12)164-126(196)106(73(15)169)162-102(177)60-142-98(173)58-141-99(174)59-143-109(179)71(13)149-120(190)94-31-24-42-166(94)127(197)92(49-67(5)6)161-122(192)96-33-26-44-168(96)129(199)103(133)68(7)8/h19-20,27-28,34-37,55-57,63-74,82-96,103-107,140,169-171H,21-26,29-33,38-54,58-62,131,133H2,1-18H3,(H2,132,172)(H2,134,178)(H,137,146)(H,138,147)(H,141,174)(H,142,173)(H,143,179)(H,144,181)(H,145,193)(H,148,184)(H,149,190)(H,150,176)(H,151,175)(H,152,185)(H,153,182)(H,154,191)(H,155,195)(H,156,186)(H,157,187)(H,158,188)(H,159,194)(H,160,183)(H,161,192)(H,162,177)(H,163,180)(H,164,196)(H,165,189)(H4,135,136,139)
InChIKey
PUBCCFNQJQKCNC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gastrin-Releasing Peptide, human
CAS: 93755-85-2
CID: 23185015
Formula: C130H204N38O31S2
MW: 2859.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2859.4
XLogP3-2.2
Hydrogen Bond Donor Count36
Hydrogen Bond Acceptor Count38
Rotatable Bond Count86
Exact Mass2858.5029690
Monoisotopic Mass2857.4996142
Topological Polar Surface Area1110 Ų
Heavy Atom Count201
Formal Charge0
Complexity6470
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count24
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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