BMS 180742

cas: 138828-04-3 — see every product listed under this CAS number, including other names

BMS 180742 (CAS 138828-04-3) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas138828-04-3
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Structural formula: {0} (CAS {1})

(4S)-5-[[(2S)-1-[[(2S)-1-[[(1S)-4-amino-1-carboxy-4-oxobutyl]-[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-4-carboxy-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid (CAS 138828-04-3) is a chemical compound with the molecular formula C67H93N11O22 and a molecular weight of 1404.5 g/mol. IUPAC name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(1S)-4-amino-1-carboxy-4-oxobutyl]-[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-4-carboxy-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid. InChIKey: BYWFWGVNLIBMIK-VMIARKKQSA-N.

Identity
Molecular formulaC67H93N11O22
Molecular weight1404.5 g/mol
IUPAC name(4S)-5-[[(2S)-1-[[(2S)-1-[[(1S)-4-amino-1-carboxy-4-oxobutyl]-[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-4-carboxy-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
InChIKeyBYWFWGVNLIBMIK-VMIARKKQSA-N
SMILESCC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N([C@@H](CCC(=O)N)C(=O)O)C(=O)[C@H](CC3CCCCC3)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)CCC(=O)O

Computed by PubChem (NCBI)

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