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

Systemtic Name: 2-[(3S,6S,9R,12S,15R)-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]ethanoic acid Openeye Name: 2-[(3S,6S,9R,12S,15R)-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]acetic acid CAS Name: 2-[(3S,6S,9R,12S,15R)-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 IUPAC Name: 2-[(3S,6S,9R,12S,15R)-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 Traditional Name: 2-[(3S,6S,9R,12S,15R)-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 Formula: C33H44N6O7 MolecularWeight: 636.73846

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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)O)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)O)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C33H44N6O7/c1-18(2)14-23-29(42)35-24(15-20-17-34-22-11-6-5-10-21(20)22)30(43)37-25(16-27(40)41)33(46)39-13-7-12-26(39)31(44)38-28(32(45)36-23)19-8-3-4-9-19/h5-6,10-11,17-19,23-26,28,34H,3-4,7-9,12-16H2,1-2H3,(H,35,42)(H,36,45)(H,37,43)(H,38,44)(H,40,41)/t23-,24+,25+,26-,28+/m1/s1