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HCV Nucleoprotein (88-96)

CAT: 0926-FH109024-01Size: 2000 µgDry Ice: NoHazardous: No
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CAS Number
171926-86-6
Synonyms
H-Asn-Glu-Gly-Leu-Gly-Trp-Ala-Gly-Trp-OH; H-NEGLGWAGW-OH
MDL Number
MFCD00798732
Smiles
C[C@@H] (C (=O) NCC (=O) N[C@@H] (CC1=CNC2=CC=CC=C21) C (=O) O) NC (=O) [C@H] (CC3=CNC4=CC=CC=C43) NC (=O) CNC (=O) [C@H] (CC (C) C) NC (=O) CNC (=O) [C@H] (CCC (=O) O) NC (=O) [C@H] (CC (=O) N) N
Molecular Formula
C46H60N12O13
Molecular Weight
989.04 g/mol
Controlled
No

Chemical Information

(4S)-5-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[2-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoic acid
CAS Number171926-86-6
PubChem CID25230056
IUPAC Name(4S)-5-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[2-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC46H60N12O13
Molecular Weight989.0
XLogP-3.5
Topological Polar Surface Area408
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count14
Rotatable Bond Count28
Heavy Atom Count71
Formal Charge0
Complexity1940
SMILES
C[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)N
InChI
InChI=1S/C46H60N12O13/c1-23(2)14-33(55-37(60)21-52-43(67)32(12-13-40(63)64)58-42(66)29(47)17-36(48)59)44(68)53-22-38(61)56-34(15-25-18-49-30-10-6-4-8-27(25)30)45(69)54-24(3)41(65)51-20-39(62)57-35(46(70)71)16-26-19-50-31-11-7-5-9-28(26)31/h4-11,18-19,23-24,29,32-35,49-50H,12-17,20-22,47H2,1-3H3,(H2,48,59)(H,51,65)(H,52,67)(H,53,68)(H,54,69)(H,55,60)(H,56,61)(H,57,62)(H,58,66)(H,63,64)(H,70,71)/t24-,29-,32-,33-,34-,35-/m0/s1
InChIKey
SKHWHIYXXIPSAJ-KFAPUTSFSA-N
Chemical Structure
2D Structure
2D structure of (4S)-5-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[2-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoic acid
CAS: 171926-86-6
CID: 25230056
Formula: C46H60N12O13
MW: 989.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight989.0
XLogP3-3.5
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count14
Rotatable Bond Count28
Exact Mass988.44028002
Monoisotopic Mass988.44028002
Topological Polar Surface Area408 Ų
Heavy Atom Count71
Formal Charge0
Complexity1940
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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