Blasticidin S, (benzylamino)benzenesulfonate
[CAS# 38162-93-5]

Identification

• Name: Blasticidin S, (benzylamino)benzenesulfonate
• Synonyms: (2S,3S,6R)-3-[[(3S)-3-Amino-5-(Carbamimidoyl-Methyl-Amino)Pentanoyl]Amino]-6-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid; 3-(Phenylmethylamino)Benzenesulfonic Acid; (2S,3S,6R)-3-[[(3S)-3-Amino-5-(Carbamimidoyl-Methylamino)-1-Oxopentyl]Amino]-6-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid; 3-(Phenylmethylamino)Benzenesulfonic Acid; (2S,3S,6R)-3-[[(3S)-5-(Amidino-Methyl-Amino)-3-Amino-Pentanoyl]Amino]-6-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid; 3-(Benzylamino)Benzenesulfonic Acid
• Molecular Formula: C₃₀H₃₉N₉O₈S
• Molecular Weight: 685.75
• CAS Registry Number: 38162-93-5
• SMILES: [C@H]1(O[C@@H]([C@@H](NC(=O)C[C@@H](N)CCN(C(=N)N)C)C=C1)C(=O)O)N2C(=O)N=C(N)C=C2.C3=C([S](=O)(=O)O)C=CC=C3NCC4=CC=CC=C4
• InChI: 1S/C17H26N8O5.C13H13NO3S/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29;15-18(16,17)13-8-4-7-12(9-13)14-10-11-5-2-1-3-6-11/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29);1-9,14H,10H2,(H,15,16,17)/t9-,10-,13+,14-;/m0./s1
• InChIKey: GJIFYFLPKNBKJE-NMQKUDMSSA-N