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Lys-Thymic Factor trifluoroacetate salt

CAT: 0926-FL109181-01Size: 1000 µgDry Ice: NoHazardous: No
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CAT#:0926-FL109181-01Size:1000 µg
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CAS Number
318950-01-5
Synonyms
H-Lys-Glu-Ala-Lys-Ser-Gln-Gly-Gly-Ser-Asn-OH; H-KEAKSQGGSN-OH
MDL Number
MFCD02259568
Smiles
C[C@@H] (C (=O) N[C@@H] (CCCCN) C (=O) N[C@@H] (CO) C (=O) N[C@@H] (CCC (=O) N) C (=O) NCC (=O) NCC (=O) N[C@@H] (CO) C (=O) N[C@@H] (CC (=O) N) C (=O) O) NC (=O) [C@H] (CCC (=O) O) NC (=O) [C@H] (CCCCN) N.C (=O) (C (F) (F) F) O
Molecular Formula
C39H68N14O17
Molecular Weight
1,005.04 g/mol
Controlled
No

Chemical Information

H-Keaksqggsn-OH
CAS Number318950-01-5
PubChem CID145707427
IUPAC Name(4S)-5-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[2-[[2-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC41H69F3N14O19
Molecular Weight1119.1
Topological Polar Surface Area579
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count25
Rotatable Bond Count37
Heavy Atom Count77
Formal Charge0
Complexity1920
SMILES
C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C39H68N14O17.C2HF3O2/c1-19(47-35(65)23(9-11-31(60)61)50-33(63)20(42)6-2-4-12-40)32(62)49-21(7-3-5-13-41)36(66)53-26(18-55)38(68)51-22(8-10-27(43)56)34(64)46-15-29(58)45-16-30(59)48-25(17-54)37(67)52-24(39(69)70)14-28(44)57;3-2(4,5)1(6)7/h19-26,54-55H,2-18,40-42H2,1H3,(H2,43,56)(H2,44,57)(H,45,58)(H,46,64)(H,47,65)(H,48,59)(H,49,62)(H,50,63)(H,51,68)(H,52,67)(H,53,66)(H,60,61)(H,69,70);(H,6,7)/t19-,20-,21-,22-,23-,24-,25-,26-;/m0./s1
InChIKey
YHLIHIJPQSQGRW-QMRFRQQMSA-N
Chemical Structure
2D Structure
2D structure of H-Keaksqggsn-OH
CAS: 318950-01-5
CID: 145707427
Formula: C41H69F3N14O19
MW: 1119.1
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1119.1
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count25
Rotatable Bond Count37
Exact Mass1118.48155051
Monoisotopic Mass1118.48155051
Topological Polar Surface Area579 Ų
Heavy Atom Count77
Formal Charge0
Complexity1920
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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