Nordidemnin B
[CAS# 117710-03-9]

Identification

• Name: Nordidemnin B
• Synonyms: (2S)-N-[1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-12-Hydroxy-3-Isobutyl-8,13-Diisopropyl-20-[(4-Methoxyphenyl)Methyl]-6,17,21-Trimethyl-2,5,7,10,15,19,22-Heptaoxo-9,18-Dioxa-1,4,14,21-Tetrazabicyclo[21.3.0]Hexacosan-16-Yl]Carbamoyl]-3-Methyl-Butyl]-1-[(2S)-2-Hydroxypropanoyl]-N-Methyl-Pyrrolidine-2-Carboxamide; (2S)-N-[1-[[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-12-Hydroxy-3-Isobutyl-8,13-Diisopropyl-20-[(4-Methoxyphenyl)Methyl]-6,17,21-Trimethyl-2,5,7,10,15,19,22-Heptaoxo-9,18-Dioxa-1,4,14,21-Tetrazabicyclo[21.3.0]Hexacosan-16-Yl]Amino]-Oxomethyl]-3-Methylbutyl]-1-[(2S)-2-Hydroxy-1-Oxopropyl]-N-Methyl-2-Pyrrolidinecarboxamide; (2S)-N-[1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-12-Hydroxy-3-Isobutyl-8,13-Diisopropyl-2,5,7,10,15,19,22-Heptaketo-20-(4-Methoxybenzyl)-6,17,21-Trimethyl-9,18-Dioxa-1,4,14,21-Tetrazabicyclo[21.3.0]Hexacosan-16-Yl]Carbamoyl]-3-Methyl-Butyl]-1-Lactoyl-N-Methyl-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₅₆H₈₇N₇O₁₅
• Molecular Weight: 1098.34
• CAS Registry Number: 117710-03-9
• SMILES: [C@@H]24N(C(=O)[C@@H](NC(=O)[C@H](C(=O)[C@@H](OC(=O)C[C@H](O)[C@H](NC(=O)[C@@H](NC(=O)C(N(C(=O)[C@H]1N(C(=O)[C@@H](O)C)CCC1)C)CC(C)C)[C@H](OC(=O)[C@@H](N(C2=O)C)CC3=CC=C(OC)C=C3)C)C(C)C)C(C)C)C)CC(C)C)CCC4
• InChI: 1S/C56H87N7O15/c1-29(2)25-38-53(72)63-24-16-18-40(63)55(74)61(13)42(27-36-19-21-37(76-14)22-20-36)56(75)77-35(11)46(59-50(69)41(26-30(3)4)60(12)54(73)39-17-15-23-62(39)52(71)34(10)64)51(70)58-45(31(5)6)43(65)28-44(66)78-48(32(7)8)47(67)33(9)49(68)57-38/h19-22,29-35,38-43,45-46,48,64-65H,15-18,23-28H2,1-14H3,(H,57,68)(H,58,70)(H,59,69)/t33-,34-,35+,38-,39-,40-,41?,42-,43-,45+,46-,48-/m0/s1
• InChIKey: CKVQLVKUIHIXIC-WSWSWPEESA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Boiling point: 1271.384°C at 760 mmHg (Cal.)
• Flash point: 722.707°C (Cal.)