methyl 3-[[(3R,6R,9S,12R,15S)-9-(2-methylpropyl)-2,5,8,11,14-pentakis(oxidanylidene)-3-(2-oxidanylidene-2-phenylmethoxy-ethyl)-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl]methyl]indole-1-carboxylate

Systemtic Name: methyl 3-[[(3R,6R,9S,12R,15S)-9-(2-methylpropyl)-2,5,8,11,14-pentakis(oxidanylidene)-3-(2-oxidanylidene-2-phenylmethoxy-ethyl)-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl]methyl]indole-1-carboxylate Openeye Name: methyl 3-[[(3R,6R,9S,12R,15S)-3-(2-benzyloxy-2-oxo-ethyl)-9-isobutyl-12-isopropyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl]methyl]indole-1-carboxylate CAS Name: 3-[[(3R,6R,9S,12R,15S)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-3-(2-oxo-2-phenylmethoxyethyl)-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl]methyl]-1-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(3R,6R,9S,12R,15S)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-3-(2-oxo-2-phenylmethoxyethyl)-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl]methyl]indole-1-carboxylate Traditional Name: 3-[[(3R,6R,9S,12R,15S)-3-(2-benzoxy-2-keto-ethyl)-9-isobutyl-12-isopropyl-2,5,8,11,14-pentaketo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl]methyl]indole-1-carboxylic acid methyl ester Formula: C40H50N6O9 MolecularWeight: 758.8598

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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)C(C)C)CC(=O)OCC3=CC=CC=C3)CC4=CN(C5=CC=CC=C54)C(=O)OC

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)C(C)C)CC(=O)OCC3=CC=CC=C3)CC4=CN(C5=CC=CC=C54)C(=O)OC

InChI

InChI=1S/C40H50N6O9/c1-23(2)18-28-35(48)41-29(19-26-21-46(40(53)54-5)31-15-10-9-14-27(26)31)36(49)43-30(20-33(47)55-22-25-12-7-6-8-13-25)39(52)45-17-11-16-32(45)37(50)44-34(24(3)4)38(51)42-28/h6-10,12-15,21,23-24,28-30,32,34H,11,16-20,22H2,1-5H3,(H,41,48)(H,42,51)(H,43,49)(H,44,50)/t28-,29+,30+,32-,34+/m0/s1