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RGD-targeted Proapoptotic Peptide

CAT: 0121-4099726.1000Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0121-4099726.1000Size:1 mg
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CAS Number
2243207-09-0
Specifications
H-7948.1000
Synonyms
RGD-4C-GG- (klaklak) 2-NH2
Sequence
H-Ala-Cys-Asp-Cys-Arg-Gly-Asp-Cys-Phe-Cys-Gly-Gly-D-Lys-D-Leu-D-Ala-D-Lys-D-Leu-D-Ala-D-Lys-D-Lys-D-Leu-D-Ala-D-Lys-D-Leu-D-Ala-D-Lys-OH
Molecular Formula
C₁₁₆H₁₉₉N₃₅O₃₁S₄
Molecular Weight
2708.34
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

RGD-targeted Proapoptotic Peptide Trifluoroacetate
CAS Number2243207-09-0
PubChem CID145707973
IUPAC Name(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-6-amino-2-[[2-[[2-[[(1R,4S,7R,12S,15S,18R,21S,27S)-7-[[(2S)-2-aminopropanoyl]amino]-15-benzyl-27-(3-carbamimidamidopropyl)-4,21-bis(carboxymethyl)-3,6,14,17,20,23,26,29-octaoxo-9,10,31,32-tetrathia-2,5,13,16,19,22,25,28-octazabicyclo[16.11.4]tritriacontane-12-carbonyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC118H200F3N35O33S4
Molecular Weight2822.3
Topological Polar Surface Area1220
Hydrogen Bond Donor Count39
Hydrogen Bond Acceptor Count48
Rotatable Bond Count78
Heavy Atom Count193
Formal Charge0
Complexity5820
SMILES
C[C@@H](C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2)CC(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC1=O)CC(=O)O)CC3=CC=CC=C3)C(=O)NCC(=O)NCC(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)O)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C116H199N35O31S4.C2HF3O2/c1-60(2)46-77(105(171)130-66(11)95(161)137-73(34-19-25-41-119)102(168)143-78(47-61(3)4)106(172)131-65(10)94(160)136-72(33-18-24-40-118)101(167)140-75(36-21-27-43-121)104(170)145-80(49-63(7)8)107(173)132-67(12)96(162)138-74(35-20-26-42-120)103(169)144-79(48-62(5)6)108(174)133-68(13)97(163)141-76(115(181)182)37-22-28-44-122)142-100(166)71(32-17-23-39-117)134-89(153)54-127-88(152)53-128-99(165)84-56-183-184-57-85(148-93(159)64(9)123)113(179)147-83(52-92(157)158)111(177)151-86-58-185-186-59-87(114(180)146-81(109(175)149-84)50-69-30-15-14-16-31-69)150-110(176)82(51-91(155)156)135-90(154)55-129-98(164)70(139-112(86)178)38-29-45-126-116(124)125;3-2(4,5)1(6)7/h14-16,30-31,60-68,70-87H,17-29,32-59,117-123H2,1-13H3,(H,127,152)(H,128,165)(H,129,164)(H,130,171)(H,131,172)(H,132,173)(H,133,174)(H,134,153)(H,135,154)(H,136,160)(H,137,161)(H,138,162)(H,139,178)(H,140,167)(H,141,163)(H,142,166)(H,143,168)(H,144,169)(H,145,170)(H,146,180)(H,147,179)(H,148,159)(H,149,175)(H,150,176)(H,151,177)(H,155,156)(H,157,158)(H,181,182)(H4,124,125,126);(H,6,7)/t64-,65+,66-,67+,68+,70-,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81-,82-,83-,84+,85-,86-,87-;/m0./s1
InChIKey
UPYOGMZDMOMCGJ-KDBWWPLNSA-N
Chemical Structure
2D Structure
2D structure of RGD-targeted Proapoptotic Peptide Trifluoroacetate
CAS: 2243207-09-0
CID: 145707973
Formula: C118H200F3N35O33S4
MW: 2822.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2822.3
Hydrogen Bond Donor Count39
Hydrogen Bond Acceptor Count48
Rotatable Bond Count78
Exact Mass2821.3916280
Monoisotopic Mass2820.3882731
Topological Polar Surface Area1220 Ų
Heavy Atom Count193
Formal Charge0
Complexity5820
Isotope Atom Count0
Defined Atom Stereocenter Count23
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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