MI-1544

cas: 87565-51-3 — see every product listed under this CAS number, including other names

MI-1544 (CAS 87565-51-3) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas87565-51-3
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Structural formula: {0} (CAS {1})

(2S)-N-[(2R)-1-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide (CAS 87565-51-3) is a chemical compound with the molecular formula C71H94ClN17O13 and a molecular weight of 1429.1 g/mol. IUPAC name: (2S)-N-[(2R)-1-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide. InChIKey: SJIRJOKZIDRUQX-ZIJAQKSWSA-N.

Identity
Molecular formulaC71H94ClN17O13
Molecular weight1429.1 g/mol
IUPAC name(2S)-N-[(2R)-1-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide
InChIKeySJIRJOKZIDRUQX-ZIJAQKSWSA-N
SMILESC[C@H](C(=O)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@@H](CC7=CC=C(C=C7)Cl)N

Computed by PubChem (NCBI)

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