methyl 2-[(3R,6R,9S,12R,15S)-6-[(2-bromanyl-3H-indol-3-yl)methyl]-12-cyclopentyl-9-(2-methylpropyl)-2,5,8,11,14-pentakis(oxidanylidene)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]ethanoate

Systemtic Name: methyl 2-[(3R,6R,9S,12R,15S)-6-[(2-bromanyl-3H-indol-3-yl)methyl]-12-cyclopentyl-9-(2-methylpropyl)-2,5,8,11,14-pentakis(oxidanylidene)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]ethanoate Openeye Name: methyl 2-[(3R,6R,9S,12R,15S)-6-[(2-bromo-3H-indol-3-yl)methyl]-12-cyclopentyl-9-isobutyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetate CAS Name: 2-[(3R,6R,9S,12R,15S)-6-[(2-bromo-3H-indol-3-yl)methyl]-12-cyclopentyl-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(3R,6R,9S,12R,15S)-6-[(2-bromo-3H-indol-3-yl)methyl]-12-cyclopentyl-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetate Traditional Name: 2-[(3R,6R,9S,12R,15S)-6-[(2-bromo-3H-indol-3-yl)methyl]-12-cyclopentyl-9-isobutyl-2,5,8,11,14-pentaketo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid methyl ester Formula: C34H45BrN6O7 MolecularWeight: 729.6611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C3CCCC3)CC(=O)OC)CC4C5=CC=CC=C5N=C4Br

Isomeric SMILES

CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N1)C3CCCC3)CC(=O)OC)CC4C5=CC=CC=C5N=C4Br

InChI

InChI=1S/C34H45BrN6O7/c1-18(2)15-23-30(43)37-24(16-21-20-11-6-7-12-22(20)36-29(21)35)31(44)39-25(17-27(42)48-3)34(47)41-14-8-13-26(41)32(45)40-28(33(46)38-23)19-9-4-5-10-19/h6-7,11-12,18-19,21,23-26,28H,4-5,8-10,13-17H2,1-3H3,(H,37,43)(H,38,46)(H,39,44)(H,40,45)/t21?,23-,24+,25+,26-,28+/m0/s1