22-butan-2-yl-13-heptadecyl-9,16-bis(1-hydroxyethyl)-3,19-dimethyl-6-propan-2-yl-14-oxa-1,4,7,10,17,20,23-heptazabicyclo[23.3.0]octacosane-2,5,8,11,15,18,21,24-octone

Systemtic Name: 22-butan-2-yl-13-heptadecyl-9,16-bis(1-hydroxyethyl)-3,19-dimethyl-6-propan-2-yl-14-oxa-1,4,7,10,17,20,23-heptazabicyclo[23.3.0]octacosane-2,5,8,11,15,18,21,24-octone Openeye Name: 13-heptadecyl-9,16-bis(1-hydroxyethyl)-6-isopropyl-3,19-dimethyl-22-sec-butyl-14-oxa-1,4,7,10,17,20,23-heptazabicyclo[23.3.0]octacosane-2,5,8,11,15,18,21,24-octone CAS Name: 22-butan-2-yl-13-heptadecyl-9,16-bis(1-hydroxyethyl)-3,19-dimethyl-6-propan-2-yl-14-oxa-1,4,7,10,17,20,23-heptazabicyclo[23.3.0]octacosane-2,5,8,11,15,18,21,24-octone IUPAC Name: 22-butan-2-yl-13-heptadecyl-9,16-bis(1-hydroxyethyl)-3,19-dimethyl-6-propan-2-yl-14-oxa-1,4,7,10,17,20,23-heptazabicyclo[23.3.0]octacosane-2,5,8,11,15,18,21,24-octone Traditional Name: 13-heptadecyl-9,16-bis(1-hydroxyethyl)-6-isopropyl-3,19-dimethyl-22-sec-butyl-14-oxa-1,4,7,10,17,20,23-heptazabicyclo[23.3.0]octacosane-2,5,8,11,15,18,21,24-tetraquinone Formula: C50H89N7O11 MolecularWeight: 964.28196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)O)C)C(C)CC)C)C(C)C)C(C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)O)C)C(C)CC)C)C(C)C)C(C)O

InChI

InChI=1S/C50H89N7O11/c1-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-37-30-39(60)53-42(35(8)58)48(65)54-40(31(3)4)46(63)52-34(7)49(66)57-29-26-28-38(57)45(62)55-41(32(5)11-2)47(64)51-33(6)44(61)56-43(36(9)59)50(67)68-37/h31-38,40-43,58-59H,10-30H2,1-9H3,(H,51,64)(H,52,63)(H,53,60)(H,54,65)(H,55,62)(H,56,61)