Ac-Arg-Lys-Ile-Leu-Phe-Leu-Asp-Gly-NH2

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Basic information

CAS: 128211-01-8
Standard SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(N)=O
InChIKey: VIQYCLDEYAEKBM-TZXFWULXSA-N
Molecular formula: C47H79N13O11
Average molar mass: 1,002.2 g/mol
Monoisotopic mass: 1,001.60220039

Names & identifiers

Preferred name: Ac-Arg-Lys-Ile-Leu-Phe-Leu-Asp-Gly-NH2
IUPAC: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[(2-amino-2-oxoethyl)amino]-4-oxobutanoic acid

Names & synonyms

Ac-RKILFLDG-NH2Ac-Arg-Lys-Ile-Leu-Phe-Leu-Asp-Gly-NH2128211-01-8DTXSID80155840(3s)-3-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-acetamido-5-guanidino-pentanoyl]amino]-6-amino-hexanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[(2-amino-2-oxo-ethyl)amino]-4-oxo-butanoic acidN~2~-Acetyl-N~5~-(diaminomethylidene)-L-ornithyl-L-lysyl-L-isoleucyl-L-leucyl-L-phenylalanyl-L-leucyl-L-alpha-aspartylglycinamide

Database identifiers

CAS: 128211-01-8
PubChem CID: 473344
DTXSID: DTXSID80155840

Properties

Computed structural properties

XLogP: -2.9
Topological polar surface area: 404 Å²
Hydrogen bond donors: 13
Hydrogen bond acceptors: 13
Rotatable bonds: 34
Heavy atoms: 71
Formal charge: 0
Complexity: 1,800

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Compound notes

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