[Des-Arg10]-HOE I40

cas: 1054763-33-5 — see every product listed under this CAS number, including other names

[Des-Arg10]-HOE I40 (CAS 1054763-33-5) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas1054763-33-5
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Structural formula: {0} (CAS {1})

(2S,3aS,7aS)-1-[(1R)-2-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-1-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid (CAS 1054763-33-5) is a chemical compound with the molecular formula C53H77N15O12S and a molecular weight of 1148.3 g/mol. IUPAC name: (2S,3aS,7aS)-1-[(1R)-2-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-1-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid. InChIKey: USDDLEJFZOSDMC-GTXJOUNGSA-N.

Identity
Molecular formulaC53H77N15O12S
Molecular weight1148.3 g/mol
IUPAC name(2S,3aS,7aS)-1-[(1R)-2-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-1-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
InChIKeyUSDDLEJFZOSDMC-GTXJOUNGSA-N
SMILESC1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)[C@H]3C4=CC=CC=C4CCN3C(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CS5)NC(=O)CNC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H]7CCCN7C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)O)C(=O)O

Computed by PubChem (NCBI)

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