Products 121869-35-0

CAS 121869-35-0 appears in our catalog under these names: Anhydro-Daptomycin, Daptomycin Impurity C, Daptomycin Impurity 2, 9-(2,5-d|-Dioxo-L-3-amino-1-pyrrolidineacetic acid)-10-deglycine Daptomycin. Offered by: Chemat Brand, Hubei YoungXin, TRC, Biosynth. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 0,5mg, 5mg.

(3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(5R,8S,11S,14R,15S,21S,24S,27R,30S)-11-[2-(2-aminophenyl)-2-oxoethyl]-21-(3-aminopropyl)-24-(carboxymethyl)-8-[(2R)-1-carboxypropan-2-yl]-5-(hydroxymethyl)-14,27-dimethyl-3,6,9,12,16,19,22,25,28,32,33-undecaoxo-13-oxa-1,4,7,10,17,20,23,26,29-nonazabicyclo[28.2.1]tritriacontan-15-yl]amino]-4-oxobutanoic acid (CAS 121869-35-0) is a chemical compound with the molecular formula C72H99N17O25 and a molecular weight of 1602.7 g/mol. IUPAC name: (3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(5R,8S,11S,14R,15S,21S,24S,27R,30S)-11-[2-(2-aminophenyl)-2-oxoethyl]-21-(3-aminopropyl)-24-(carboxymethyl)-8-[(2R)-1-carboxypropan-2-yl]-5-(hydroxymethyl)-14,27-dimethyl-3,6,9,12,16,19,22,25,28,32,33-undecaoxo-13-oxa-1,4,7,10,17,20,23,26,29-nonazabicyclo[28.2.1]tritriacontan-15-yl]amino]-4-oxobutanoic acid. InChIKey: ORZVJBWXRAJYHN-RWDRXURGSA-N.

Identity
Molecular formulaC72H99N17O25
Molecular weight1602.7 g/mol
IUPAC name(3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(5R,8S,11S,14R,15S,21S,24S,27R,30S)-11-[2-(2-aminophenyl)-2-oxoethyl]-21-(3-aminopropyl)-24-(carboxymethyl)-8-[(2R)-1-carboxypropan-2-yl]-5-(hydroxymethyl)-14,27-dimethyl-3,6,9,12,16,19,22,25,28,32,33-undecaoxo-13-oxa-1,4,7,10,17,20,23,26,29-nonazabicyclo[28.2.1]tritriacontan-15-yl]amino]-4-oxobutanoic acid
InChIKeyORZVJBWXRAJYHN-RWDRXURGSA-N
SMILESCCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CN4C(=O)C[C@@H](C4=O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CO)[C@H](C)CC(=O)O)CC(=O)C5=CC=CC=C5N)C

Computed by PubChem (NCBI)