TcO-ABX474

cas: 3019987-06-2 — see every product listed under this CAS number, including other names

TcO-ABX474 (CAS 3019987-06-2) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas3019987-06-2
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Structural formula: {0} (CAS {1})

(2S)-2-[[(1S)-1-carboxy-5-[[8-[[(5R)-5-carboxy-5-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanoylamino]butanoyl]amino]butanoyl]amino]pentyl]amino]-8-oxooctanoyl]amino]pentyl]carbamoylamino]pentanedioic acid (CAS 3019987-06-2) is a chemical compound with the molecular formula C51H89N9O18S2 and a molecular weight of 1180.4 g/mol. IUPAC name: (2S)-2-[[(1S)-1-carboxy-5-[[8-[[(5R)-5-carboxy-5-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanoylamino]butanoyl]amino]butanoyl]amino]pentyl]amino]-8-oxooctanoyl]amino]pentyl]carbamoylamino]pentanedioic acid. InChIKey: VYIHXUDAVFDPQG-GJOOVXBSSA-N.

Identity
Molecular formulaC51H89N9O18S2
Molecular weight1180.4 g/mol
IUPAC name(2S)-2-[[(1S)-1-carboxy-5-[[8-[[(5R)-5-carboxy-5-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanoylamino]butanoyl]amino]butanoyl]amino]pentyl]amino]-8-oxooctanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
InChIKeyVYIHXUDAVFDPQG-GJOOVXBSSA-N
SMILESCC(C)(CNCCN(CCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)CC(C)(C)S)S

Computed by PubChem (NCBI)

Synonyms: orb3135309

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