Shepherdin (79-87)

cas: 861224-28-4 — see every product listed under this CAS number, including other names

Shepherdin (79-87) (CAS 861224-28-4) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas861224-28-4
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Structural formula: {0} (CAS {1})

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3,3-dimethylbutanoic acid (CAS 861224-28-4) is a chemical compound with the molecular formula C41H64N12O12S and a molecular weight of 949.1 g/mol. IUPAC name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3,3-dimethylbutanoic acid. InChIKey: XBANOGLOZZLEEW-AJLKJCTESA-N.

Identity
Molecular formulaC41H64N12O12S
Molecular weight949.1 g/mol
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3,3-dimethylbutanoic acid
InChIKeyXBANOGLOZZLEEW-AJLKJCTESA-N
SMILESC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](C(=O)O)C(C)(C)C)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCCCN)N

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