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

Systemtic Name: methyl 2-[(3R,6R,9S,12R,15S)-6-[(2-methyl-1H-indol-3-yl)methyl]-9-(2-methylpropyl)-2,5,8,11,14-pentakis(oxidanylidene)-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]ethanoate Openeye Name: methyl 2-[(3R,6R,9S,12R,15S)-9-isobutyl-12-isopropyl-6-[(2-methyl-1H-indol-3-yl)methyl]-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-methyl-1H-indol-3-yl)methyl]-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-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-methyl-1H-indol-3-yl)methyl]-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetate Traditional Name: 2-[(3R,6R,9S,12R,15S)-9-isobutyl-12-isopropyl-2,5,8,11,14-pentaketo-6-[(2-methyl-1H-indol-3-yl)methyl]-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid methyl ester Formula: C33H46N6O7 MolecularWeight: 638.75434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)CC3C(=O)NC(C(=O)N4CCCC4C(=O)NC(C(=O)NC(C(=O)N3)CC(C)C)C(C)C)CC(=O)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C[C@@H]3C(=O)N[C@@H](C(=O)N4CCC[C@H]4C(=O)N[C@@H](C(=O)N[C@H](C(=O)N3)CC(C)C)C(C)C)CC(=O)OC

InChI

InChI=1S/C33H46N6O7/c1-17(2)14-23-29(41)35-24(15-21-19(5)34-22-11-8-7-10-20(21)22)30(42)37-25(16-27(40)46-6)33(45)39-13-9-12-26(39)31(43)38-28(18(3)4)32(44)36-23/h7-8,10-11,17-18,23-26,28,34H,9,12-16H2,1-6H3,(H,35,41)(H,36,44)(H,37,42)(H,38,43)/t23-,24+,25+,26-,28+/m0/s1