tert-butyl 2-[(2R,8R,11S,14R)-14-(1H-indol-3-ylmethyl)-5,5-dimethyl-11-(2-methylpropyl)-3,6,9,12,15-pentakis(oxidanylidene)-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[(2R,8R,11S,14R)-14-(1H-indol-3-ylmethyl)-5,5-dimethyl-11-(2-methylpropyl)-3,6,9,12,15-pentakis(oxidanylidene)-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]ethanoate Openeye Name: tert-butyl 2-[(2R,8R,11S,14R)-14-(1H-indol-3-ylmethyl)-11-isobutyl-8-isopropyl-5,5-dimethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetate CAS Name: 2-[(2R,8R,11S,14R)-14-(1H-indol-3-ylmethyl)-5,5-dimethyl-11-(2-methylpropyl)-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2R,8R,11S,14R)-14-(1H-indol-3-ylmethyl)-5,5-dimethyl-11-(2-methylpropyl)-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetate Traditional Name: 2-[(2R,8R,11S,14R)-14-(1H-indol-3-ylmethyl)-11-isobutyl-8-isopropyl-3,6,9,12,15-pentaketo-5,5-dimethyl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid tert-butyl ester Formula: C34H50N6O7 MolecularWeight: 654.7968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)C)(C)C)CC(=O)OC(C)(C)C)CC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NC(C(=O)N[C@@H](C(=O)N1)C(C)C)(C)C)CC(=O)OC(C)(C)C)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C34H50N6O7/c1-18(2)14-23-28(42)36-24(15-20-17-35-22-13-11-10-12-21(20)22)29(43)37-25(16-26(41)47-33(5,6)7)30(44)40-34(8,9)32(46)39-27(19(3)4)31(45)38-23/h10-13,17-19,23-25,27,35H,14-16H2,1-9H3,(H,36,42)(H,37,43)(H,38,45)(H,39,46)(H,40,44)/t23-,24+,25+,27+/m0/s1