4-Amino-2-[(2-Amino-3-Hydroxybutanoyl)Amino]-N-[6,9,18-Tris(2-Aminoethyl)-3-(1-Hydroxyethyl)-12,15-Bis(2-Methylpropyl)-2,5,8,11,14,17,20-Heptaoxo-1,4,7,10,13,16,19-Heptazacyclotricos-21-Yl]Butanamide
[CAS# 32530-94-2]

Identification

• Name: 4-Amino-2-[(2-Amino-3-Hydroxybutanoyl)Amino]-N-[6,9,18-Tris(2-Aminoethyl)-3-(1-Hydroxyethyl)-12,15-Bis(2-Methylpropyl)-2,5,8,11,14,17,20-Heptaoxo-1,4,7,10,13,16,19-Heptazacyclotricos-21-Yl]Butanamide
• Synonyms: 4-Amino-2-[(2-Amino-3-Hydroxy-Butanoyl)Amino]-N-[6,9,18-Tris(2-Aminoethyl)-3-(1-Hydroxyethyl)-12,15-Diisobutyl-2,5,8,11,14,17,20-Heptaoxo-1,4,7,10,13,16,19-Heptazacyclotricos-21-Yl]Butanamide; 4-Amino-2-[(2-Amino-3-Hydroxy-1-Oxobutyl)Amino]-N-[6,9,18-Tris(2-Aminoethyl)-3-(1-Hydroxyethyl)-12,15-Diisobutyl-2,5,8,11,14,17,20-Heptaoxo-1,4,7,10,13,16,19-Heptazacyclotricos-21-Yl]Butanamide; 4-Amino-2-[(2-Amino-3-Hydroxy-Butanoyl)Amino]-N-[6,9,18-Tris(2-Aminoethyl)-3-(1-Hydroxyethyl)-12,15-Diisobutyl-2,5,8,11,14,17,20-Heptaketo-1,4,7,10,13,16,19-Heptazacyclotricos-21-Yl]Butyramide
• Molecular Formula: C₄₀H₇₆N₁₄O₁₁
• Molecular Weight: 929.13
• CAS Registry Number: 32530-94-2
• SMILES: C(C1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C(O)C)CCN)CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC(C)C)CCN)CCN)C(O)C)CCN)C(C)C
• InChI: 1S/C40H76N14O11/c1-19(2)17-28-37(62)49-23(7-12-41)32(57)48-26(10-15-44)36(61)54-31(22(6)56)40(65)46-16-11-27(50-33(58)25(9-14-43)51-39(64)30(45)21(5)55)35(60)47-24(8-13-42)34(59)52-29(18-20(3)4)38(63)53-28/h19-31,55-56H,7-18,41-45H2,1-6H3,(H,46,65)(H,47,60)(H,48,57)(H,49,62)(H,50,58)(H,51,64)(H,52,59)(H,53,63)(H,54,61)
• InChIKey: WNPBEUWOUYCJJR-UHFFFAOYSA-N

Properties

• Density: 1.296g/cm³ (Cal.)
• Boiling point: 1416.577°C at 760 mmHg (Cal.)
• Flash point: 810.516°C (Cal.)