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FTISADTSK

CAT: 0931-T38907Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T38907Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1431957-73-1
Target
Drug Metabolite
Related Pathways
Metabolism
Bioactivity
FTISADTSK is an endogenous stable signature peptide derived from Trastuzumab, accurately assessed using selected reaction monitoring (SRM) .
Smiles
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(O)=O
Molecular Formula
C42H68N10O16
Molecular Weight
969.06
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ftisadtsk
CAS Number1431957-73-1
PubChem CID162678823
IUPAC Name(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid
Molecular FormulaC42H68N10O16
Molecular Weight969.0
XLogP-8.8
Topological Polar Surface Area440
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count18
Rotatable Bond Count31
Heavy Atom Count68
Formal Charge0
Complexity1720
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC1=CC=CC=C1)N
InChI
InChI=1S/C42H68N10O16/c1-6-20(2)31(50-41(66)33(23(5)56)51-35(60)25(44)16-24-12-8-7-9-13-24)39(64)48-28(18-53)37(62)45-21(3)34(59)47-27(17-30(57)58)36(61)52-32(22(4)55)40(65)49-29(19-54)38(63)46-26(42(67)68)14-10-11-15-43/h7-9,12-13,20-23,25-29,31-33,53-56H,6,10-11,14-19,43-44H2,1-5H3,(H,45,62)(H,46,63)(H,47,59)(H,48,64)(H,49,65)(H,50,66)(H,51,60)(H,52,61)(H,57,58)(H,67,68)/t20-,21-,22+,23+,25-,26-,27-,28-,29-,31-,32-,33-/m0/s1
InChIKey
RWCAPLOZSLPNEV-BNFYKCPDSA-N
Chemical Structure
2D Structure
2D structure of Ftisadtsk
CAS: 1431957-73-1
CID: 162678823
Formula: C42H68N10O16
MW: 969.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight969.0
XLogP3-8.8
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count18
Rotatable Bond Count31
Exact Mass968.48147612
Monoisotopic Mass968.48147612
Topological Polar Surface Area440 Ų
Heavy Atom Count68
Formal Charge0
Complexity1720
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-P3146-01FTISADTSK
MBS5798778FTISADTSK acetate
HY-P3146A-01FTISADTSK (acetate)
PP40620-01H-FTISADTSK-OH
HY-P3146S-01FTISADTSK-13C6,15N2 (TFA)

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