tert-butyl 2-[(3R,6R,9S,12R,15S)-12-cyclopentyl-6-(1H-indol-3-ylmethyl)-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: tert-butyl 2-[(3R,6R,9S,12R,15S)-12-cyclopentyl-6-(1H-indol-3-ylmethyl)-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: tert-butyl 2-[(3R,6R,9S,12R,15S)-12-cyclopentyl-6-(1H-indol-3-ylmethyl)-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)-12-cyclopentyl-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3R,6R,9S,12R,15S)-12-cyclopentyl-6-(1H-indol-3-ylmethyl)-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)-12-cyclopentyl-6-(1H-indol-3-ylmethyl)-9-isobutyl-2,5,8,11,14-pentaketo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid tert-butyl ester Formula: C37H52N6O7 MolecularWeight: 692.84478

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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(C)(C)C)CC4=CNC5=CC=CC=C54

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(C)(C)C)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C37H52N6O7/c1-21(2)17-26-32(45)39-27(18-23-20-38-25-14-9-8-13-24(23)25)33(46)41-28(19-30(44)50-37(3,4)5)36(49)43-16-10-15-29(43)34(47)42-31(35(48)40-26)22-11-6-7-12-22/h8-9,13-14,20-22,26-29,31,38H,6-7,10-12,15-19H2,1-5H3,(H,39,45)(H,40,48)(H,41,46)(H,42,47)/t26-,27+,28+,29-,31+/m0/s1