N-[3-[(2S,5S,11S,17S)-5,17-Bis[3-(Acetyl-Hydroxyamino)Propyl]-11-(Hydroxymethyl)-3,6,9,12,15,18-Hexaoxo-1,4,7,10,13,16-Hexazacyclooctadec-2-Yl]Propyl]-N-Hydroxyacetamide
[CAS 37279-99-5]

Identification

• Name: N-[3-[(2S,5S,11S,17S)-5,17-Bis[3-(Acetyl-Hydroxyamino)Propyl]-11-(Hydroxymethyl)-3,6,9,12,15,18-Hexaoxo-1,4,7,10,13,16-Hexazacyclooctadec-2-Yl]Propyl]-N-Hydroxyacetamide
• Synonyms: N-[3-[(2S,5S,11S,17S)-5,17-Bis[3-(Acetyl-Hydroxy-Amino)Propyl]-11-(Hydroxymethyl)-3,6,9,12,15,18-Hexaoxo-1,4,7,10,13,16-Hexazacyclooctadec-2-Yl]Propyl]-N-Hydroxy-Acetamide; N-[3-[(2S,5S,11S,17S)-5,17-Bis[3-(Acetyl-Hydroxy-Amino)Propyl]-3,6,9,12,15,18-Hexaketo-11-Methylol-1,4,7,10,13,16-Hexazacyclooctadec-2-Yl]Propyl]-N-Hydroxy-Acetamide; N-[3-[(2S,5S,11S,17S)-5,17-Bis[3-(Ethanoyl-Hydroxy-Amino)Propyl]-11-(Hydroxymethyl)-3,6,9,12,15,18-Hexaoxo-1,4,7,10,13,16-Hexazacyclooctadec-2-Yl]Propyl]-N-Hydroxy-Ethanamide
• Molecular Formula: C₂₈H₄₇N₉O₁₃
• Molecular Weight: 717.73
• CAS Registry Number: 37279-99-5
• SMILES: [C@H]1(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC1=O)CO)CCCN(O)C(=O)C)CCCN(O)C(=O)C)CCCN(O)C(=O)C
• InChI: 1S/C28H47N9O13/c1-16(39)35(48)10-4-7-19-25(44)29-14-24(43)32-22(15-38)26(45)30-13-23(42)31-20(8-5-11-36(49)17(2)40)27(46)34-21(28(47)33-19)9-6-12-37(50)18(3)41/h19-22,38,48-50H,4-15H2,1-3H3,(H,29,44)(H,30,45)(H,31,42)(H,32,43)(H,33,47)(H,34,46)/t19-,20-,21-,22-/m0/s1
• InChIKey: JXJRJDNSPWNZOK-CMOCDZPBSA-N