N-[2-[5,14,17,23,29-Pentakis(2-Aminoethyl)-20,26-Bis(1-Hydroxyethyl)-11-[(4-Hydroxyphenyl)Methyl]-8-(2-Methylpropyl)-3,6,9,12,15,18,21,24,27,30-Decaoxo-1,4,7,10,13,16,19,22,25,28-Decazacyclotriacont-2-Yl]Ethyl]Nonanamide Pentahydrochloride
[CAS# 77554-83-7]

Identification

• Name: N-[2-[5,14,17,23,29-Pentakis(2-Aminoethyl)-20,26-Bis(1-Hydroxyethyl)-11-[(4-Hydroxyphenyl)Methyl]-8-(2-Methylpropyl)-3,6,9,12,15,18,21,24,27,30-Decaoxo-1,4,7,10,13,16,19,22,25,28-Decazacyclotriacont-2-Yl]Ethyl]Nonanamide Pentahydrochloride
• Synonyms: N-[2-[5,14,17,23,29-Pentakis(2-Aminoethyl)-20,26-Bis(1-Hydroxyethyl)-11-[(4-Hydroxyphenyl)Methyl]-8-Isobutyl-3,6,9,12,15,18,21,24,27,30-Decaoxo-1,4,7,10,13,16,19,22,25,28-Decazacyclotriacont-2-Yl]Ethyl]Nonanamide Pentahydrochloride; N-[2-[5,14,17,23,29-Pentakis(2-Aminoethyl)-11-(4-Hydroxybenzyl)-20,26-Bis(1-Hydroxyethyl)-8-Isobutyl-3,6,9,12,15,18,21,24,27,30-Decaketo-1,4,7,10,13,16,19,22,25,28-Decazacyclotriacont-2-Yl]Ethyl]Pelargonamide Pentahydrochloride; Cyclic(L-Alpha,Gamma-Diaminobutyryl-Ngamma-(1-Oxononyl)-L-Alpha,Gamma-Diaminobutyryl-L-Alpha,Gamma-Diaminobutyryl-D-Leucyl-L-Threonyl-L-Alpha,Gamma-Diaminobutyryl-L-Alpha,Gamma-Diaminobutyryl-L-Threonyl-L-Alpha,Gamma-Diaminobutyryl-L-Threonyl), Pentahydrochloride
• Molecular Formula: C₅₆H₁₀₃Cl₅N₁₆O₁₄
• Molecular Weight: 1401.79
• CAS Registry Number: 77554-83-7
• SMILES: [Cl-].N2C(CC(C)C)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(CCN)C(=O)NC(CCN)C(=O)NC(C(O)C)C(=O)NC(CCN)C(=O)NC(C(O)C)C(=O)NC(C(=O)NC(CCNC(=O)CCCCCCCC)C(=O)NC(C2=O)CCN)CCN.[H+].[H+].[H+].[H+].[H+].[Cl-].[Cl-].[Cl-].[Cl-]
• InChI: 1S/C56H98N16O14.5ClH/c1-6-7-8-9-10-11-12-44(76)62-28-22-41-50(80)63-37(18-24-58)49(79)69-42(29-31(2)3)53(83)70-43(30-34-13-15-35(75)16-14-34)54(84)65-36(17-23-57)47(77)64-39(20-26-60)51(81)71-46(33(5)74)56(86)68-40(21-27-61)52(82)72-45(32(4)73)55(85)67-38(19-25-59)48(78)66-41;;;;;/h13-16,31-33,36-43,45-46,73-75H,6-12,17-30,57-61H2,1-5H3,(H,62,76)(H,63,80)(H,64,77)(H,65,84)(H,66,78)(H,67,85)(H,68,86)(H,69,79)(H,70,83)(H,71,81)(H,72,82);5*1H
• InChIKey: JGDVPHMBJZOZLP-UHFFFAOYSA-N

Properties

• Boiling point: 1603.7°C at 760 mmHg (Cal.)
• Flash point: 923.7°C (Cal.)