Batifiban

cas: 710312-77-9 — see every product listed under this CAS number, including other names

Batifiban (CAS 710312-77-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

2-[(3S,6S,12S,20R,23S)-20-carbamoyl-12-[3-(diaminomethylideneamino)propyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid (CAS 710312-77-9) is a chemical compound with the molecular formula C34H47N11O9S2 and a molecular weight of 817.9 g/mol. IUPAC name: 2-[(3S,6S,12S,20R,23S)-20-carbamoyl-12-[3-(diaminomethylideneamino)propyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid. InChIKey: UUQHAAWMCLITRZ-KEOOTSPTSA-N.

Identity
Molecular formulaC34H47N11O9S2
Molecular weight817.9 g/mol
IUPAC name2-[(3S,6S,12S,20R,23S)-20-carbamoyl-12-[3-(diaminomethylideneamino)propyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
InChIKeyUUQHAAWMCLITRZ-KEOOTSPTSA-N
SMILESC1C[C@H]2C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCN=C(N)N)C(=O)N

Computed by PubChem (NCBI)

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