T7 Tag Peptide 5mg

CAT: 0628-A23069-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A23069-5Size:5 mg

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CAS Number

245445-88-9

Chemical Information

T7 Tag Peptide

CAS Number	245445-88-9
PubChem CID	170907469
IUPAC Name	2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetic acid
Molecular Formula	C41H71N13O16S3
Molecular Weight	1098.3
XLogP	-8.8
Topological Polar Surface Area	557
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	38
Heavy Atom Count	73
Formal Charge	0
Complexity	1920

SMILES

C[C@H]([C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)N)O

InChI

InChI=1S/C41H71N13O16S3/c1-20(48-35(64)22(42)10-13-71-3)34(63)53-27(19-55)40(69)52-26(12-15-73-5)39(68)54-33(21(2)56)41(70)46-16-30(59)45-17-31(60)49-23(6-8-28(43)57)37(66)50-24(7-9-29(44)58)38(67)51-25(11-14-72-4)36(65)47-18-32(61)62/h20-27,33,55-56H,6-19,42H2,1-5H3,(H2,43,57)(H2,44,58)(H,45,59)(H,46,70)(H,47,65)(H,48,64)(H,49,60)(H,50,66)(H,51,67)(H,52,69)(H,53,63)(H,54,68)(H,61,62)/t20-,21+,22-,23-,24-,25-,26-,27-,33-/m0/s1

InChIKey

CBOSLARKSDSTLV-AQKXWGSKSA-N

Chemical Structure

2D Structure

CAS: 245445-88-9

CID: 170907469

Formula: C41H71N13O16S3

MW: 1098.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1098.3
XLogP3	-8.8
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	38
Exact Mass	1097.43038675
Monoisotopic Mass	1097.43038675
Topological Polar Surface Area	557 Å²
Heavy Atom Count	73
Formal Charge	0
Complexity	1920
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T7 Tag Peptide 5mg

Chemical Information

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