2-[(3S,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-Di(Butan-2-Yl)-6-[(4-Methoxyphenyl)Methyl]-3,10,16,19,22,28-Hexamethyl-2,5,8,11,14,17,20,23,26,29-Decaoxo-9,24,27-Tri(Propan-2-Yl)-4-Oxa-1,7,10,13,16,19,22,25,28-Nonazabicyclo[28.4.0]Tetratriacontan-21-Yl]Acetic Acid
[CAS# 159404-79-2]

Identification

• Name: 2-[(3S,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-Di(Butan-2-Yl)-6-[(4-Methoxyphenyl)Methyl]-3,10,16,19,22,28-Hexamethyl-2,5,8,11,14,17,20,23,26,29-Decaoxo-9,24,27-Tri(Propan-2-Yl)-4-Oxa-1,7,10,13,16,19,22,25,28-Nonazabicyclo[28.4.0]Tetratriacontan-21-Yl]Acetic Acid
• Synonyms: 2-[(3S,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-Di(Butan-2-Yl)-6-[(4-Methoxyphenyl)Methyl]-3,10,16,19,22,28-Hexamethyl-2,5,8,11,14,17,20,23,26,29-Decaoxo-9,24,27-Tri(Propan-2-Yl)-4-Oxa-1,7,10,13,16,19,22,25,28-Nonazabicyclo[28.4.0]Tetratriacontan-21-Yl]Ethanoic Acid; Aids029505; L-Tyrosine, N-[N-[N-[N-[N-[N-[N-[N-[[1-(2-Hydroxy-1-Oxopropyl)-L-2-Piperidinyl]Carbonyl]-N-Methyl-L-Valyl]-L-Valyl]-N-Methyl-L-A-Aspartyl]-N-Methyl-L-Isoleucyl]-N-Methyl-L-Isoleucyl]Glycyl]-N-Methyl-L-Valyl]-O-Methyl-, .Delta.1-Lactone, (S)-
• Molecular Formula: C₅₇H₉₁N₉O₁₄
• Molecular Weight: 1126.40
• CAS Registry Number: 159404-79-2
• SMILES: [C@H]1(N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H]3N(C(=O)[C@@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)CNC(=O)[C@@H](N(C1=O)C)C(CC)C)C)C(C)C)CC2=CC=C(OC)C=C2)C)CCCC3)C)C(C)C)C(C)C)C)CC(=O)O)C)C(CC)C
• InChI: 1S/C57H91N9O14/c1-18-34(9)47-49(70)58-30-42(67)62(13)45(32(5)6)50(71)59-39(28-37-23-25-38(79-17)26-24-37)57(78)80-36(11)52(73)66-27-21-20-22-40(66)53(74)63(14)46(33(7)8)51(72)60-44(31(3)4)55(76)61(12)41(29-43(68)69)54(75)65(16)48(35(10)19-2)56(77)64(47)15/h23-26,31-36,39-41,44-48H,18-22,27-30H2,1-17H3,(H,58,70)(H,59,71)(H,60,72)(H,68,69)/t34?,35?,36-,39-,40-,41-,44-,45-,46-,47-,48-/m0/s1
• InChIKey: WRIUTPDMSISMSW-HWLKPAACSA-N

Properties

• Density: 1.231g/cm³ (Cal.)
• Boiling point: 1291.122°C at 760 mmHg (Cal.)
• Flash point: 734.644°C (Cal.)