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Lac repressor fragment 33-38

CAT: 0013-GTR19193999Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193999Size:25 mg
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Description
Lac repressor fragment 33-38
CAS Number
78228-88-3
Smiles
[C@H] (C (N[C@H] (C (N[C@H] (C (N[C@@H] (C (C) C) C (O) =O) =O) CCCCN) =O) CCC (O) =O) =O) (NC ([C@@H] (NC ([C@H] (CCCCN) N) =O) [C@@H] (C) O) =O) CCCNC (=N) N
Molecular Formula
C32H61N11O10
Molecular Weight
759.89
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lac repressor fragment 33-38

Lys-Arg-Glu-Lys-Val fragment from lac repressor

CAS Number78228-88-3
PubChem CID196078
IUPAC Name(4S)-5-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC32H61N11O10
Molecular Weight759.9
XLogP-8.4
Topological Polar Surface Area383
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count14
Rotatable Bond Count28
Heavy Atom Count53
Formal Charge0
Complexity1230
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCCCN)N)O
InChI
InChI=1S/C32H61N11O10/c1-17(2)24(31(52)53)42-29(50)20(10-5-7-15-34)39-28(49)22(12-13-23(45)46)40-27(48)21(11-8-16-38-32(36)37)41-30(51)25(18(3)44)43-26(47)19(35)9-4-6-14-33/h17-22,24-25,44H,4-16,33-35H2,1-3H3,(H,39,49)(H,40,48)(H,41,51)(H,42,50)(H,43,47)(H,45,46)(H,52,53)(H4,36,37,38)/t18-,19+,20+,21+,22+,24+,25+/m1/s1
InChIKey
QXFXVXOBAZENRA-BXZPNGIOSA-N
Chemical Structure
2D Structure
2D structure of Lac repressor fragment 33-38
CAS: 78228-88-3
CID: 196078
Formula: C32H61N11O10
MW: 759.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight759.9
XLogP3-8.4
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count14
Rotatable Bond Count28
Exact Mass759.46028719
Monoisotopic Mass759.46028719
Topological Polar Surface Area383 Ų
Heavy Atom Count53
Formal Charge0
Complexity1230
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes