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UFP-101

CAT: 0926-ZIB02468-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-ZIB02468-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
849024-68-6
Smiles
CC (C (C (=O) NCC (=O) NC (C) C (=O) NC (CCCNC (=N) N) C (=O) NC (CCCCN) C (=O) NC (CO) C (=O) NC (C) C (=O) NC (CCCNC (=N) N) C (=O) NC (CCCCN) C (=O) NC (CCCNC (=N) N) C (=O) NC (CCCCN) C (=O) NC (CC (=O) N) C (=O) NC (CCC (=O) N) C (=O) N) NC (=O) C (CC1=CC=CC=C1) NC (=O) CNC (=O) CNC (=O) CNCC2=CC=CC=C2) O
Molecular Formula
C82H138N32O21
Molecular Weight
1,908.2 g/mol
Controlled
No

Chemical Information

L-Glutamamide,N-(phenylmethyl)glycylglycylglycyl-L-phenylalanyl-L-threonylglycyl-L-alanyl-L-arginyl-L-lysyl-L-seryl-L-alanyl-L-arginyl-L-lysyl-L-arginyl-L-lysyl-L-asparaginyl-
CAS Number849024-68-6
PubChem CID16152632
IUPAC Name(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[2-(benzylamino)acetyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]pentanediamide
Molecular FormulaC82H138N32O21
Molecular Weight1908.2
XLogP-11
Topological Polar Surface Area911
Hydrogen Bond Donor Count34
Hydrogen Bond Acceptor Count28
Rotatable Bond Count72
Heavy Atom Count135
Formal Charge0
Complexity3900
SMILES
C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)CNCC2=CC=CC=C2)O
InChI
InChI=1S/C82H138N32O21/c1-45(102-64(121)43-101-79(135)66(47(3)116)114-77(133)57(37-48-19-6-4-7-20-48)104-65(122)42-100-63(120)41-99-62(119)40-95-39-49-21-8-5-9-22-49)68(124)106-54(26-16-34-96-80(89)90)71(127)110-53(25-12-15-33-85)75(131)113-59(44-115)78(134)103-46(2)69(125)107-55(27-17-35-97-81(91)92)72(128)108-51(23-10-13-31-83)70(126)111-56(28-18-36-98-82(93)94)73(129)109-52(24-11-14-32-84)74(130)112-58(38-61(87)118)76(132)105-50(67(88)123)29-30-60(86)117/h4-9,19-22,45-47,50-59,66,95,115-116H,10-18,23-44,83-85H2,1-3H3,(H2,86,117)(H2,87,118)(H2,88,123)(H,99,119)(H,100,120)(H,101,135)(H,102,121)(H,103,134)(H,104,122)(H,105,132)(H,106,124)(H,107,125)(H,108,128)(H,109,129)(H,110,127)(H,111,126)(H,112,130)(H,113,131)(H,114,133)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,66-/m0/s1
InChIKey
DOLKPWDXAQZKNJ-LGCGZHPXSA-N
Chemical Structure
2D Structure
2D structure of L-Glutamamide,N-(phenylmethyl)glycylglycylglycyl-L-phenylalanyl-L-threonylglycyl-L-alanyl-L-arginyl-L-lysyl-L-seryl-L-alanyl-L-arginyl-L-lysyl-L-arginyl-L-lysyl-L-asparaginyl-
CAS: 849024-68-6
CID: 16152632
Formula: C82H138N32O21
MW: 1908.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1908.2
XLogP3-11
Hydrogen Bond Donor Count34
Hydrogen Bond Acceptor Count28
Rotatable Bond Count72
Exact Mass1907.0714295
Monoisotopic Mass1907.0714295
Topological Polar Surface Area911 Ų
Heavy Atom Count135
Formal Charge0
Complexity3900
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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