3-[16-butan-2-yl-10,11,14-trimethyl-2,5,9,12,15,18-hexakis(oxidanylidene)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl]-2-methyl-propanoic acid

Systemtic Name: 3-[16-butan-2-yl-10,11,14-trimethyl-2,5,9,12,15,18-hexakis(oxidanylidene)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl]-2-methyl-propanoic acid Openeye Name: 3-(13-isopropyl-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-16-sec-butyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl)-2-methyl-propanoic acid CAS Name: 3-(16-butan-2-yl-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl)-2-methylpropanoic acid IUPAC Name: 3-(16-butan-2-yl-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl)-2-methylpropanoic acid Traditional Name: 3-(13-isopropyl-2,5,9,12,15,18-hexaketo-10,11,14-trimethyl-16-sec-butyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl)-2-methyl-propionic acid Formula: C30H49N5O9 MolecularWeight: 623.73816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(C)C(=O)O)C)C)C(C)C)C

Isomeric SMILES

CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(C)C(=O)O)C)C)C(C)C)C

InChI

InChI=1S/C30H49N5O9/c1-9-17(4)23-28(40)34(8)24(16(2)3)29(41)33(7)19(6)25(37)31-13-12-22(36)44-21(15-18(5)30(42)43)27(39)35-14-10-11-20(35)26(38)32-23/h16-21,23-24H,9-15H2,1-8H3,(H,31,37)(H,32,38)(H,42,43)