A-70874

cas: 131449-37-1 — see every product listed under this CAS number, including other names

A-70874 (CAS 131449-37-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas131449-37-1
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Structural formula: {0} (CAS {1})

(3S)-3-[[(2S)-2-amino-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]hexanoyl]amino]-4-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-4-oxobutanoic acid (CAS 131449-37-1) is a chemical compound with the molecular formula C45H55N7O10 and a molecular weight of 854.0 g/mol. IUPAC name: (3S)-3-[[(2S)-2-amino-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]hexanoyl]amino]-4-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-4-oxobutanoic acid. InChIKey: IHDGRMXKGXPBRQ-XEJAQAJBSA-N.

Identity
Molecular formulaC45H55N7O10
Molecular weight854.0 g/mol
IUPAC name(3S)-3-[[(2S)-2-amino-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]hexanoyl]amino]-4-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-4-oxobutanoic acid
InChIKeyIHDGRMXKGXPBRQ-XEJAQAJBSA-N
SMILESCC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N(C(=O)[C@H](CC3=CC=CC=C3)NC)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)/C=C/C4=CC=C(C=C4)O)N

Computed by PubChem (NCBI)

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