tert-butyl 2-[(2R,5S,8R,11S,14R)-5-(3-azanyl-3-oxidanylidene-propyl)-14-(1H-indol-3-ylmethyl)-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,5S,8R,11S,14R)-5-(3-azanyl-3-oxidanylidene-propyl)-14-(1H-indol-3-ylmethyl)-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,5S,8R,11S,14R)-5-(3-amino-3-oxo-propyl)-14-(1H-indol-3-ylmethyl)-11-isobutyl-8-isopropyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetate CAS Name: 2-[(2R,5S,8R,11S,14R)-5-(3-amino-3-oxopropyl)-14-(1H-indol-3-ylmethyl)-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,5S,8R,11S,14R)-5-(3-amino-3-oxopropyl)-14-(1H-indol-3-ylmethyl)-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,5S,8R,11S,14R)-5-(3-amino-3-keto-propyl)-14-(1H-indol-3-ylmethyl)-11-isobutyl-8-isopropyl-3,6,9,12,15-pentaketo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid tert-butyl ester Formula: C35H51N7O8 MolecularWeight: 697.82154

Click to see the large picture

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

InChI

InChI=1S/C35H51N7O8/c1-18(2)14-24-31(46)39-25(15-20-17-37-22-11-9-8-10-21(20)22)32(47)40-26(16-28(44)50-35(5,6)7)33(48)38-23(12-13-27(36)43)30(45)42-29(19(3)4)34(49)41-24/h8-11,17-19,23-26,29,37H,12-16H2,1-7H3,(H2,36,43)(H,38,48)(H,39,46)(H,40,47)(H,41,49)(H,42,45)/t23-,24-,25+,26+,29+/m0/s1