2alpha-D-Alloisoleucine-Actinomycin D,
[CAS# 2612-14-8]

Identification

• Name: 2alpha-D-Alloisoleucine-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-(10-Isopropyl-7,11,14-Trimethyl-2,5,9,12,15-Pentaoxo-3-Sec-Butyl-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-(10-Isopropyl-7,11,14-Trimethyl-2,5,9,12,15-Pentaoxo-3-Sec-Butyl-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-(10-Isopropyl-2,5,9,12,15-Pentaketo-7,11,14-Trimethyl-3-Sec-Butyl-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl)-3-Keto-4,6-Dimethyl-Phenoxazine-1,9-Dicarboxamide
• Molecular Formula: C₆₃H₈₈N₁₂O₁₆
• Molecular Weight: 1269.46
• CAS Registry Number: 2612-14-8
• SMILES: C3=CC(=C2OC1=C(C(C(=C(C1=NC2=C3C(NC5C(NC(C(N4CCCC4C(=O)N(CC(=O)N(C)C(C(OC5C)=O)C(C)C)C)=O)C(C)C)=O)=O)C(NC7C(NC(C(N6CCCC6C(=O)N(CC(=O)N(C)C(C(OC7C)=O)C(C)C)C)=O)C(CC)C)=O)=O)N)=O)C)C
• InChI: 1S/C63H88N12O16/c1-17-31(8)44-61(86)75-25-19-21-38(75)59(84)71(14)27-40(77)73(16)50(30(6)7)63(88)90-35(12)46(57(82)67-44)69-55(80)41-42(64)51(78)33(10)53-48(41)65-47-36(23-22-32(9)52(47)91-53)54(79)68-45-34(11)89-62(87)49(29(4)5)72(15)39(76)26-70(13)58(83)37-20-18-24-74(37)60(85)43(28(2)3)66-56(45)81/h22-23,28-31,34-35,37-38,43-46,49-50H,17-21,24-27,64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)
• InChIKey: QCXJFISCRQIYID-UHFFFAOYSA-N

Properties

• Density: 1.416g/cm³ (Cal.)
• Boiling point: 1388.259°C at 760 mmHg (Cal.)
• Flash point: 793.39°C (Cal.)