Diazomycin B
[CAS# 7644-67-9]

Identification

• Classification: API >> Antineoplastic agents >> Antibiotic antineoplastic agents
• Name: Diazomycin B
• Synonyms: Sodium (2S)-2-Amino-5-[[(Z,1S)-1-[[(E,1S)-1-Carboxy-5-Diazonio-4-Oxido-Pent-4-Enyl]Carbamoyl]-5-Diazonio-4-Oxido-Pent-4-Enyl]Amino]-5-Oxo-Pentanoate; Sodium (2S)-2-Amino-5-[[(Z,1S)-1-[[[(E,1S)-1-Carboxy-5-Diazonio-4-Oxidopent-4-Enyl]Amino]-Oxomethyl]-5-Diazonio-4-Oxidopent-4-Enyl]Amino]-5-Oxopentanoate; Sodium (2S)-2-Amino-5-[[(Z,1S)-1-[[(E,1S)-1-Carboxy-5-Diazonio-4-Oxido-Pent-4-Enyl]Carbamoyl]-5-Diazonio-4-Oxido-Pent-4-Enyl]Amino]-5-Keto-Valerate
• Molecular Formula: C₁₇H₂₂N₇NaO₈
• Molecular Weight: 475.39
• CAS Registry Number: 7644-67-9
• SMILES: [N+](=[N-])=CC(=O)CC[C@H](NC(=O)CC[C@H](N)C([O-])=O)C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(O)=O.[Na+]
• InChI: 1S/C17H23N7O8.Na/c18-11(16(29)30)3-6-14(27)23-12(4-1-9(25)7-21-19)15(28)24-13(17(31)32)5-2-10(26)8-22-20;/h7-8,11-13H,1-6,18H2,(H,23,27)(H,24,28)(H,29,30)(H,31,32);/q;+1/p-1/t11-,12-,13-;/m0./s1
• InChIKey: BLLHCAJGRHAVEL-QKWXXBCPSA-M