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Mas7

CAT: 0926-FM73480-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0926-FM73480-01Size:500 µg
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CAS Number
145854-59-7
MDL Number
MFCD00144726
Smiles
CC[C@H] (C) [C@@H] (C (=O) N[C@@H] (CC (=O) N) C (=O) N[C@@H] (CC (C) C) C (=O) N[C@@H] (CCCCN) C (=O) N[C@@H] (C) C (=O) N[C@@H] (CC (C) C) C (=O) N[C@@H] (C) C (=O) N[C@@H] (C) 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] (C) C (=O) N[C@@H] (CC (C) C) C (=O) N[C@@H] (CC (C) C) C (=O) N) N
Molecular Formula
C67H124N18O15
Molecular Weight
1,421.81 g/mol
Controlled
No

Chemical Information

Mastoparan 7
CAS Number145854-59-7
PubChem CID5491418
IUPAC Name(2S)-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]butanediamide
Molecular FormulaC67H124N18O15
Molecular Weight1421.8
XLogP1.3
Topological Polar Surface Area543
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count18
Rotatable Bond Count49
Heavy Atom Count100
Formal Charge0
Complexity2720
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)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](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)N
InChI
InChI=1S/C67H124N18O15/c1-18-38(12)53(71)67(100)85-51(32-52(70)86)66(99)84-50(31-37(10)11)64(97)79-45(24-20-22-26-69)61(94)75-42(16)58(91)82-47(28-34(4)5)62(95)76-39(13)55(88)73-40(14)57(90)81-48(29-35(6)7)63(96)77-41(15)56(89)78-44(23-19-21-25-68)60(93)74-43(17)59(92)83-49(30-36(8)9)65(98)80-46(54(72)87)27-33(2)3/h33-51,53H,18-32,68-69,71H2,1-17H3,(H2,70,86)(H2,72,87)(H,73,88)(H,74,93)(H,75,94)(H,76,95)(H,77,96)(H,78,89)(H,79,97)(H,80,98)(H,81,90)(H,82,91)(H,83,92)(H,84,99)(H,85,100)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,53-/m0/s1
InChIKey
HOLQXBRPSSZJMZ-FGRXCANLSA-N
Chemical Structure
2D Structure
2D structure of Mastoparan 7
CAS: 145854-59-7
CID: 5491418
Formula: C67H124N18O15
MW: 1421.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1421.8
XLogP31.3
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count18
Rotatable Bond Count49
Exact Mass1420.94935532
Monoisotopic Mass1420.94935532
Topological Polar Surface Area543 Ų
Heavy Atom Count100
Formal Charge0
Complexity2720
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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