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BMV Gag- (7−25)

CAT: 0931-TP2723-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2723-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
312613-48-2
Target
TMV
Related Pathways
Immunology/Inflammation
Bioactivity
BMV Gag- (7−25) is a peptide enriched with arginine that possesses the ability to penetrate cells. It is utilized in research related to drug delivery and gene therapy.
Smiles
C([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CCCCN)N)=O)CCSC)=O)[C@@H](C)O)=O)CCCNC(=N)N)=O)C)=O)CCC(N)=O)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)C)=O)C)=O)C)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)CC(N)=O)=O)CCCNC(=N)N)=O)C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(=N)N)C(O)=O)=O)C)=O)[C@@H](C)O)=O)C=1C=2C(NC1)=CC=CC2
Molecular Formula
C96H170N44O24S
Molecular Weight
2356.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Lys-Met-Thr-Arg-Ala-Gln-Arg-Arg-Ala-Ala-Ala-Arg-Arg-Asn-Arg-Trp-Thr-Ala-Arg-OH
CAS Number312613-48-2
PubChem CID16209792
IUPAC Name(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoic acid
Molecular FormulaC96H170N44O24S
Molecular Weight2356.7
XLogP-15.1
Topological Polar Surface Area1210
Hydrogen Bond Donor Count47
Hydrogen Bond Acceptor Count34
Rotatable Bond Count88
Heavy Atom Count165
Formal Charge0
Complexity5120
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)N)O
InChI
InChI=1S/C96H170N44O24S/c1-45(123-72(146)46(2)125-77(151)56(23-13-34-115-90(101)102)131-80(154)59(26-16-37-118-93(107)108)133-83(157)62(30-31-67(99)143)129-74(148)48(4)126-78(152)57(24-14-35-116-91(103)104)135-88(162)70(51(7)142)139-84(158)63(32-41-165-8)130-76(150)54(98)21-11-12-33-97)71(145)124-47(3)73(147)128-58(25-15-36-117-92(105)106)79(153)132-60(27-17-38-119-94(109)110)82(156)138-66(43-68(100)144)85(159)134-61(28-18-39-120-95(111)112)81(155)137-65(42-52-44-122-55-22-10-9-20-53(52)55)86(160)140-69(50(6)141)87(161)127-49(5)75(149)136-64(89(163)164)29-19-40-121-96(113)114/h9-10,20,22,44-51,54,56-66,69-70,122,141-142H,11-19,21,23-43,97-98H2,1-8H3,(H2,99,143)(H2,100,144)(H,123,146)(H,124,145)(H,125,151)(H,126,152)(H,127,161)(H,128,147)(H,129,148)(H,130,150)(H,131,154)(H,132,153)(H,133,157)(H,134,159)(H,135,162)(H,136,149)(H,137,155)(H,138,156)(H,139,158)(H,140,160)(H,163,164)(H4,101,102,115)(H4,103,104,116)(H4,105,106,117)(H4,107,108,118)(H4,109,110,119)(H4,111,112,120)(H4,113,114,121)/t45-,46-,47-,48-,49-,50+,51+,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,69-,70-/m0/s1
InChIKey
ICXZMHUVZNKKPY-QXRFQXLNSA-N
Chemical Structure
2D Structure
2D structure of H-Lys-Met-Thr-Arg-Ala-Gln-Arg-Arg-Ala-Ala-Ala-Arg-Arg-Asn-Arg-Trp-Thr-Ala-Arg-OH
CAS: 312613-48-2
CID: 16209792
Formula: C96H170N44O24S
MW: 2356.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight2356.7
XLogP3-15.1
Hydrogen Bond Donor Count47
Hydrogen Bond Acceptor Count34
Rotatable Bond Count88
Exact Mass2356.3188885
Monoisotopic Mass2355.3155336
Topological Polar Surface Area1210 Ų
Heavy Atom Count165
Formal Charge0
Complexity5120
Isotope Atom Count0
Defined Atom Stereocenter Count21
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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