3-[6-(3-Amino-1-Hydroxy-3-Oxopropyl)-12-(2-Amino-2-Oxoethyl)-21-(Carboxymethyl)-15,18-Bis(Hydroxymethyl)-10,13,25-Trimethyl-24-(12-Methyltetradecanoylamino)-2,5,8,11,14,17,20,23-Octaoxo-9-(Phenylmethyl)-1-Oxa-4,7,10,13,16,19,22-Heptazacyclopentacos-3-Yl]Propanoic Acid
[CAS# 73666-47-4]

Identification

• Name: 3-[6-(3-Amino-1-Hydroxy-3-Oxopropyl)-12-(2-Amino-2-Oxoethyl)-21-(Carboxymethyl)-15,18-Bis(Hydroxymethyl)-10,13,25-Trimethyl-24-(12-Methyltetradecanoylamino)-2,5,8,11,14,17,20,23-Octaoxo-9-(Phenylmethyl)-1-Oxa-4,7,10,13,16,19,22-Heptazacyclopentacos-3-Yl]Propanoic Acid
• Synonyms: 3-[6-(3-Amino-1-Hydroxy-3-Oxo-Propyl)-12-(2-Amino-2-Oxo-Ethyl)-21-(Carboxymethyl)-15,18-Bis(Hydroxymethyl)-10,13,25-Trimethyl-24-(12-Methyltetradecanoylamino)-2,5,8,11,14,17,20,23-Octaoxo-9-(Phenylmethyl)-1-Oxa-4,7,10,13,16,19,22-Heptazacyclopentacos-3-Yl]Propanoic Acid; 3-[6-(3-Amino-1-Hydroxy-3-Oxopropyl)-12-(2-Amino-2-Oxoethyl)-21-(Carboxymethyl)-15,18-Bis(Hydroxymethyl)-10,13,25-Trimethyl-24-[(12-Methyl-1-Oxotetradecyl)Amino]-2,5,8,11,14,17,20,23-Octaoxo-9-(Phenylmethyl)-1-Oxa-4,7,10,13,16,19,22-Heptazacyclopentacos-3-Yl]Propanoic Acid; 3-[6-(3-Amino-1-Hydroxy-3-Keto-Propyl)-12-(2-Amino-2-Keto-Ethyl)-9-(Benzyl)-21-(Carboxymethyl)-2,5,8,11,14,17,20,23-Octaketo-10,13,25-Trimethyl-15,18-Dimethylol-24-(12-Methyltetradecanoylamino)-1-Oxa-4,7,10,13,16,19,22-Heptazacyclopentacos-3-Yl]Propionic Acid
• Molecular Formula: C₅₄H₈₄N₁₀O₁₉
• Molecular Weight: 1177.31
• CAS Registry Number: 73666-47-4
• SMILES: C2=C(CC1N(C(=O)C(N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCCCCCCCCC(CC)C)C(OC(=O)C(NC(=O)C(NC1=O)C(O)CC(=O)N)CCC(=O)O)C)CC(=O)O)CO)CO)C)CC(=O)N)C)C=CC=C2
• InChI: 1S/C54H84N10O19/c1-6-30(2)18-14-11-9-7-8-10-12-17-21-42(70)61-45-31(3)83-54(82)33(22-23-43(71)72)57-51(79)46(39(67)27-41(56)69)62-49(77)37(24-32-19-15-13-16-20-32)63(4)53(81)38(26-40(55)68)64(5)52(80)36(29-66)60-48(76)35(28-65)59-47(75)34(25-44(73)74)58-50(45)78/h13,15-16,19-20,30-31,33-39,45-46,65-67H,6-12,14,17-18,21-29H2,1-5H3,(H2,55,68)(H2,56,69)(H,57,79)(H,58,78)(H,59,75)(H,60,76)(H,61,70)(H,62,77)(H,71,72)(H,73,74)
• InChIKey: AXMACOGXBDPVJT-UHFFFAOYSA-N

Properties

• Density: 1.362g/cm³ (Cal.)
• Boiling point: 1587.815°C at 760 mmHg (Cal.)
• Flash point: 914.077°C (Cal.)