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HLF1-11 25mg

CAT: 0628-A23521-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A23521-25Size:25 mg
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CAS Number
183623-03-2

Chemical Information

Human lactoferrin peptide 1-11
CAS Number183623-03-2
PubChem CID25087507
IUPAC Name(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]propanoic acid
Molecular FormulaC56H95N25O14S
Molecular Weight1374.6
XLogP-10.3
Topological Polar Surface Area692
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count20
Rotatable Bond Count45
Heavy Atom Count96
Formal Charge0
Complexity2740
SMILES
C[C@@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CN
InChI
InChI=1S/C56H95N25O14S/c1-27(2)42(51(93)77-36(16-17-40(58)83)47(89)78-37(22-29-24-71-31-11-5-4-10-30(29)31)48(90)80-39(26-96)50(92)72-28(3)52(94)95)81-49(91)38(25-82)79-46(88)35(15-9-21-70-56(65)66)76-45(87)34(14-8-20-69-55(63)64)75-44(86)33(13-7-19-68-54(61)62)74-43(85)32(73-41(84)23-57)12-6-18-67-53(59)60/h4-5,10-11,24,27-28,32-39,42,71,82,96H,6-9,12-23,25-26,57H2,1-3H3,(H2,58,83)(H,72,92)(H,73,84)(H,74,85)(H,75,86)(H,76,87)(H,77,93)(H,78,89)(H,79,88)(H,80,90)(H,81,91)(H,94,95)(H4,59,60,67)(H4,61,62,68)(H4,63,64,69)(H4,65,66,70)/t28-,32-,33-,34-,35-,36-,37-,38-,39-,42-/m0/s1
InChIKey
QFKUCTWLKINAOY-SNOMRCCPSA-N
Chemical Structure
2D Structure
2D structure of Human lactoferrin peptide 1-11
CAS: 183623-03-2
CID: 25087507
Formula: C56H95N25O14S
MW: 1374.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1374.6
XLogP3-10.3
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count20
Rotatable Bond Count45
Exact Mass1373.72110398
Monoisotopic Mass1373.72110398
Topological Polar Surface Area692 Ų
Heavy Atom Count96
Formal Charge0
Complexity2740
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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