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[Pyr4]-MBP (4-14)

CAT: 1601-CCP1668-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1601-CCP1668-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Peptide to [Pyr4]-MBP (4-14)
CAS Number
136132-68-8
Structure Composition
Pyr-Lys-Arg-Pro-Ser-Gln-Arg-Ser-Lys-Tyr-Leu
Purity
> 95%
Form
Lyophilized powder
Molecular Formula
C60H100N20O17
Molecular Weight
1391.61
Storage Conditions
Shipped at 4°C. Store at -20°C for one year.
Light Source
Synthetic

Chemical Information

pGlu-Lys-Arg-Pro-Ser-Gln-Arg-Ser-Lys-Tyr-Leu
CAS Number136132-68-8
PubChem CID3306138
IUPAC Name2-[[2-[[6-amino-2-[[2-[[2-[[5-amino-2-[[2-[[1-[2-[[6-amino-2-[(5-oxopyrrolidine-2-carbonyl)amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC60H100N20O17
Molecular Weight1373.6
XLogP-8.9
Topological Polar Surface Area633
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count21
Rotatable Bond Count45
Heavy Atom Count97
Formal Charge0
Complexity2710
SMILES
CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C3CCC(=O)N3
InChI
InChI=1S/C60H100N20O17/c1-32(2)28-42(58(96)97)77-53(91)41(29-33-15-17-34(83)18-16-33)76-49(87)36(11-4-6-24-62)73-54(92)43(30-81)78-50(88)37(12-7-25-68-59(64)65)72-52(90)39(19-21-46(63)84)74-55(93)44(31-82)79-56(94)45-14-9-27-80(45)57(95)40(13-8-26-69-60(66)67)75-48(86)35(10-3-5-23-61)71-51(89)38-20-22-47(85)70-38/h15-18,32,35-45,81-83H,3-14,19-31,61-62H2,1-2H3,(H2,63,84)(H,70,85)(H,71,89)(H,72,90)(H,73,92)(H,74,93)(H,75,86)(H,76,87)(H,77,91)(H,78,88)(H,79,94)(H,96,97)(H4,64,65,68)(H4,66,67,69)
InChIKey
RCRPGVVPXJBQFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of pGlu-Lys-Arg-Pro-Ser-Gln-Arg-Ser-Lys-Tyr-Leu
CAS: 136132-68-8
CID: 3306138
Formula: C60H100N20O17
MW: 1373.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1373.6
XLogP3-8.9
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count21
Rotatable Bond Count45
Exact Mass1372.75753180
Monoisotopic Mass1372.75753180
Topological Polar Surface Area633 Ų
Heavy Atom Count97
Formal Charge0
Complexity2710
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count11
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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