Products 2253770-65-7
CAS 2253770-65-7 is the registry number for Bactofencin A. Offered by: MedChemExpress. Available pack sizes: Get quote.
(3S,9S,12S,15S,18S,21S,24R,29R,32S,35S,38S,41S,47S,50S)-24-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2,6-diaminohexanoyl]amino]pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-9,12-bis(2-amino-2-oxoethyl)-21,35-bis(3-carbamimidamidopropyl)-47-[(1R)-1-hydroxyethyl]-15,38-bis[(4-hydroxyphenyl)methyl]-32-(1H-indol-3-ylmethyl)-3,41-bis(2-methylsulfanylethyl)-2,5,8,11,14,17,20,23,31,34,37,40,43,46,49-pentadecaoxo-18-propan-2-yl-26,27-dithia-1,4,7,10,13,16,19,22,30,33,36,39,42,45,48-pentadecazabicyclo[48.3.0]tripentacontane-29-carboxylic acid (CAS 2253770-65-7) is a chemical compound with the molecular formula C119H188N42O28S4 and a molecular weight of 2783.3 g/mol. IUPAC name: (3S,9S,12S,15S,18S,21S,24R,29R,32S,35S,38S,41S,47S,50S)-24-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2,6-diaminohexanoyl]amino]pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-9,12-bis(2-amino-2-oxoethyl)-21,35-bis(3-carbamimidamidopropyl)-47-[(1R)-1-hydroxyethyl]-15,38-bis[(4-hydroxyphenyl)methyl]-32-(1H-indol-3-ylmethyl)-3,41-bis(2-methylsulfanylethyl)-2,5,8,11,14,17,20,23,31,34,37,40,43,46,49-pentadecaoxo-18-propan-2-yl-26,27-dithia-1,4,7,10,13,16,19,22,30,33,36,39,42,45,48-pentadecazabicyclo[48.3.0]tripentacontane-29-carboxylic acid. InChIKey: BBUOWVYGHLNLLY-OKZJTBKNSA-N.
| Molecular formula | C119H188N42O28S4 |
|---|---|
| Molecular weight | 2783.3 g/mol |
| IUPAC name | (3S,9S,12S,15S,18S,21S,24R,29R,32S,35S,38S,41S,47S,50S)-24-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2,6-diaminohexanoyl]amino]pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-9,12-bis(2-amino-2-oxoethyl)-21,35-bis(3-carbamimidamidopropyl)-47-[(1R)-1-hydroxyethyl]-15,38-bis[(4-hydroxyphenyl)methyl]-32-(1H-indol-3-ylmethyl)-3,41-bis(2-methylsulfanylethyl)-2,5,8,11,14,17,20,23,31,34,37,40,43,46,49-pentadecaoxo-18-propan-2-yl-26,27-dithia-1,4,7,10,13,16,19,22,30,33,36,39,42,45,48-pentadecazabicyclo[48.3.0]tripentacontane-29-carboxylic acid |
| InChIKey | BBUOWVYGHLNLLY-OKZJTBKNSA-N |
| SMILES | C[C@H]([C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N1)CCSC)CC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)C(C)C)CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)N)C(=O)O)CC5=CNC6=CC=CC=C65)CCCNC(=N)N)CC7=CC=C(C=C7)O)CCSC)O |
Computed by PubChem (NCBI)
Synonyms:
Bactofencin A