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Val-Arg-Lys-Arg-Thr-Arg-Leu-Leu-Arg

HCID 132863
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Basic information

CAS
149017-68-5
Standard SMILES
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChIKey
KNYSDEYUSWWHNI-GWMUGDFHSA-N
Molecular formula
C51H100N22O11
Average molar mass
1,197.5 g/mol
Monoisotopic mass
1,196.7941921

Names & identifiers

Preferred name
Val-Arg-Lys-Arg-Thr-Arg-Leu-Leu-Arg
IUPAC
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
English name
valyl-arginyl-lysyl-arginyl-threonyl-arginyl-leucyl-leucyl-arginine
Molecular formula
C51H100N22O11
Molecular weight
1197.48

Names & synonyms

VrkrtrllrVal-arg-lys-arg-thr-arg-leu-leu-arg149017-68-5DTXSID40164155Valyl-arginyl-lysyl-arginyl-threonyl-arginyl-leucyl-leucyl-arginineRefChem:933893DTXCID4086646L-Arginine, N2-(N-(N-(N2-(N-(N2-(N2-(N2-L-valyl-L-arginyl)-L-lysyl)-L-arginyl)-L-threonyl)-L-arginyl)-L-leucyl)-L-leucyl)-L-Valyl-N~5~-(diaminomethylidene)-L-ornithyl-L-lysyl-N~5~-(diaminomethylidene)-L-ornithyl-L-threonyl-N~5~-(diaminomethylidene)-L-ornithyl-L-leucyl-L-leucyl-N~5~-(diaminomethylidene)-L-ornithineL-Arginine, N2-[N-[N-[N2-[N-[N2-[N2-(N2-L-valyl-L-arginyl)-L-lysyl]-L-arginyl]-L-threonyl]-L-arginyl]-L-leucyl]-L-leucyl]- (9CI)

Database identifiers

CAS
149017-68-5
PubChem CID
132863
DTXSID
DTXSID40164155

Properties

Computed structural properties

XLogP
-7.1
Topological polar surface area
600 Ų
Hydrogen bond donors
20
Hydrogen bond acceptors
17
Rotatable bonds
43
Heavy atoms
84
Formal charge
0
Complexity
2,220

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