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LF11

CAT: 0931-TP2266Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2266Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
832729-13-2
Target
Others, Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
LF11 displays antimicrobial activity.
Smiles
C([C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(=N)N)C(N)=O)=O)C(C)C)=O)CCCCN)=O)CCCNC(=N)N)=O)[C@H](CC)C)=O)CC(N)=O)=O)CCCNC(=N)N)=O)CCC(N)=O)=O)NC([C@@H](NC([C@H](CC1=CC=CC=C1)N)=O)CCC(N)=O)=O)C=2C=3C(NC2)=CC=CC3
Molecular Formula
C69H112N26O14
Molecular Weight
1529.79
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

L-Argininamide,L-phenylalanyl-L-glutaminyl-L-tryptophyl-L-glutaminyl-L-arginyl-L-asparaginyl-L-isoleucyl-L-arginyl-L-lysyl-L-valyl-
CAS Number832729-13-2
PubChem CID25089955
IUPAC Name(2S)-N-[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]pentanediamide
Molecular FormulaC69H112N26O14
Molecular Weight1529.8
XLogP-6
Topological Polar Surface Area724
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count19
Rotatable Bond Count52
Heavy Atom Count109
Formal Charge0
Complexity3120
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)N
InChI
InChI=1S/C69H112N26O14/c1-5-37(4)55(66(109)91-46(23-15-31-84-69(80)81)58(101)88-44(20-11-12-28-70)62(105)94-54(36(2)3)65(108)86-43(56(75)99)21-13-29-82-67(76)77)95-64(107)50(34-53(74)98)93-59(102)45(22-14-30-83-68(78)79)89-60(103)48(25-27-52(73)97)90-63(106)49(33-39-35-85-42-19-10-9-18-40(39)42)92-61(104)47(24-26-51(72)96)87-57(100)41(71)32-38-16-7-6-8-17-38/h6-10,16-19,35-37,41,43-50,54-55,85H,5,11-15,20-34,70-71H2,1-4H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,99)(H,86,108)(H,87,100)(H,88,101)(H,89,103)(H,90,106)(H,91,109)(H,92,104)(H,93,102)(H,94,105)(H,95,107)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t37-,41-,43-,44-,45-,46-,47-,48-,49-,50-,54-,55-/m0/s1
InChIKey
SIROSQHTQDVQTI-JDJCIBPGSA-N
Chemical Structure
2D Structure
2D structure of L-Argininamide,L-phenylalanyl-L-glutaminyl-L-tryptophyl-L-glutaminyl-L-arginyl-L-asparaginyl-L-isoleucyl-L-arginyl-L-lysyl-L-valyl-
CAS: 832729-13-2
CID: 25089955
Formula: C69H112N26O14
MW: 1529.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1529.8
XLogP3-6
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count19
Rotatable Bond Count52
Exact Mass1528.88513235
Monoisotopic Mass1528.88513235
Topological Polar Surface Area724 Ų
Heavy Atom Count109
Formal Charge0
Complexity3120
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

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HY-P1063LF11
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HY-P1063ALF11 (TFA)

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