3'-(4-Hydroxy-L-proline)-Actinomycin D
[CAS# 18865-46-8]

Identification

• Name: 3'-(4-Hydroxy-L-proline)-Actinomycin D
• Synonyms: 2-Amino-N'-(3,10-Diisopropyl-7,11,14-Trimethyl-2,5,9,12,15-Pentaoxo-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl)-N-(18-Hydroxy-3,10-Diisopropyl-7,11,14-Trimethyl-2,5,9,12,15-Pentaoxo-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl)-4,6-Dimethyl-3-Oxo-Phenoxazine-1,9-Dicarboxamide; 2-Amino-N'-(3,10-Diisopropyl-7,11,14-Trimethyl-2,5,9,12,15-Pentaoxo-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl)-N-(18-Hydroxy-3,10-Diisopropyl-7,11,14-Trimethyl-2,5,9,12,15-Pentaoxo-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl)-4,6-Dimethyl-3-Oxophenoxazine-1,9-Dicarboxamide; 2-Amino-N'-(3,10-Diisopropyl-2,5,9,12,15-Pentaketo-7,11,14-Trimethyl-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl)-N-(18-Hydroxy-3,10-Diisopropyl-2,5,9,12,15-Pentaketo-7,11,14-Trimethyl-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl)-3-Keto-4,6-Dimethyl-Phenoxazine-1,9-Dicarboxamide
• Molecular Formula: C₆₂H₈₆N₁₂O₁₇
• Molecular Weight: 1271.43
• CAS Registry Number: 18865-46-8
• SMILES: C5=CC(=C4OC3=C(C(C(=C(C(NC2C(=O)NC(C(C)C)C(=O)N1C(CC(C1)O)C(=O)N(CC(N(C(C(OC2C)=O)C(C)C)C)=O)C)=O)C3=NC4=C5C(NC7C(=O)NC(C(C)C)C(=O)N6C(CCC6)C(=O)N(CC(N(C(C(OC7C)=O)C(C)C)C)=O)C)=O)N)=O)C)C
• InChI: 1S/C62H86N12O17/c1-26(2)42-59(85)73-21-17-18-36(73)57(83)69(13)24-38(76)71(15)48(28(5)6)61(87)89-32(11)44(55(81)65-42)67-53(79)35-20-19-30(9)51-46(35)64-47-40(41(63)50(78)31(10)52(47)91-51)54(80)68-45-33(12)90-62(88)49(29(7)8)72(16)39(77)25-70(14)58(84)37-22-34(75)23-74(37)60(86)43(27(3)4)66-56(45)82/h19-20,26-29,32-34,36-37,42-45,48-49,75H,17-18,21-25,63H2,1-16H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)
• InChIKey: NHBSPDCGDJCFKE-UHFFFAOYSA-N

Properties

• Density: 1.448g/cm³ (Cal.)
• Boiling point: 1410.492°C at 760 mmHg (Cal.)
• Flash point: 806.836°C (Cal.)