2-[(3S,6S,9R,12S,15R)-6-[(1-methoxycarbonylindol-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]ethanoic acid

Systemtic Name: 2-[(3S,6S,9R,12S,15R)-6-[(1-methoxycarbonylindol-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]ethanoic acid Openeye Name: 2-[(3S,6S,9R,12S,15R)-9-isobutyl-12-isopropyl-6-[(1-methoxycarbonylindol-3-yl)methyl]-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid CAS Name: 2-[(3S,6S,9R,12S,15R)-6-[(1-methoxycarbonyl-3-indolyl)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 IUPAC Name: 2-[(3S,6S,9R,12S,15R)-6-[(1-methoxycarbonylindol-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 Traditional Name: 2-[(3S,6S,9R,12S,15R)-6-[(1-carbomethoxyindol-3-yl)methyl]-9-isobutyl-12-isopropyl-2,5,8,11,14-pentaketo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid Formula: C33H44N6O9 MolecularWeight: 668.73726

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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)O)CC3=CN(C4=CC=CC=C43)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)O)CC3=CN(C4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C33H44N6O9/c1-17(2)13-21-28(42)34-22(14-19-16-39(33(47)48-5)24-10-7-6-9-20(19)24)29(43)36-23(15-26(40)41)32(46)38-12-8-11-25(38)30(44)37-27(18(3)4)31(45)35-21/h6-7,9-10,16-18,21-23,25,27H,8,11-15H2,1-5H3,(H,34,42)(H,35,45)(H,36,43)(H,37,44)(H,40,41)/t21-,22+,23+,25-,27+/m1/s1