2-[21-(3-azanylpropyl)-6,18-bis(1-hydroxyethyl)-12,15-bis(hydroxymethyl)-24-methyl-2,5,8,11,14,17,20,23,26-nonakis(oxidanylidene)-28-tridecyl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-9-yl]ethanamide

Systemtic Name: 2-[21-(3-azanylpropyl)-6,18-bis(1-hydroxyethyl)-12,15-bis(hydroxymethyl)-24-methyl-2,5,8,11,14,17,20,23,26-nonakis(oxidanylidene)-28-tridecyl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-9-yl]ethanamide Openeye Name: 2-[21-(3-aminopropyl)-6,18-bis(1-hydroxyethyl)-12,15-bis(hydroxymethyl)-24-methyl-2,5,8,11,14,17,20,23,26-nonaoxo-28-tridecyl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-9-yl]acetamide CAS Name: 2-[21-(3-aminopropyl)-6,18-bis(1-hydroxyethyl)-12,15-bis(hydroxymethyl)-24-methyl-2,5,8,11,14,17,20,23,26-nonaoxo-28-tridecyl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-9-yl]acetamide IUPAC Name: 2-[21-(3-aminopropyl)-6,18-bis(1-hydroxyethyl)-12,15-bis(hydroxymethyl)-24-methyl-2,5,8,11,14,17,20,23,26-nonaoxo-28-tridecyl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-9-yl]acetamide Traditional Name: 2-[21-(3-aminopropyl)-6,18-bis(1-hydroxyethyl)-2,5,8,11,14,17,20,23,26-nonaketo-24-methyl-12,15-dimethylol-28-tridecyl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-9-yl]acetamide Formula: C44H78N10O15 MolecularWeight: 987.14812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)O1)C(C)O)CC(=O)N)CO)CO)C(C)O)CCCN)C

Isomeric SMILES

CCCCCCCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)O1)C(C)O)CC(=O)N)CO)CO)C(C)O)CCCN)C

InChI

InChI=1S/C44H78N10O15/c1-5-6-7-8-9-10-11-12-13-14-15-17-28-20-34(60)48-25(2)38(62)49-29(18-16-19-45)39(63)54-37(27(4)58)44(68)52-32(24-56)42(66)51-31(23-55)41(65)50-30(21-33(46)59)40(64)53-36(26(3)57)43(67)47-22-35(61)69-28/h25-32,36-37,55-58H,5-24,45H2,1-4H3,(H2,46,59)(H,47,67)(H,48,60)(H,49,62)(H,50,65)(H,51,66)(H,52,68)(H,53,64)(H,54,63)