2-[(2S,8S,11R,14S)-14-(1H-indol-3-ylmethyl)-4-methyl-11-(2-methylpropyl)-3,6,9,12,15-pentakis(oxidanylidene)-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]ethanoic acid

Systemtic Name: 2-[(2S,8S,11R,14S)-14-(1H-indol-3-ylmethyl)-4-methyl-11-(2-methylpropyl)-3,6,9,12,15-pentakis(oxidanylidene)-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]ethanoic acid Openeye Name: 2-[(2S,8S,11R,14S)-14-(1H-indol-3-ylmethyl)-11-isobutyl-8-isopropyl-4-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid CAS Name: 2-[(2S,8S,11R,14S)-14-(1H-indol-3-ylmethyl)-4-methyl-11-(2-methylpropyl)-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid IUPAC Name: 2-[(2S,8S,11R,14S)-14-(1H-indol-3-ylmethyl)-4-methyl-11-(2-methylpropyl)-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid Traditional Name: 2-[(2S,8S,11R,14S)-14-(1H-indol-3-ylmethyl)-11-isobutyl-8-isopropyl-3,6,9,12,15-pentaketo-4-methyl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid Formula: C29H40N6O7 MolecularWeight: 584.6639

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC(C(=O)NC(C(=O)N(CC(=O)NC(C(=O)N1)C(C)C)C)CC(=O)O)CC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C)C[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)N1)C(C)C)C)CC(=O)O)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C29H40N6O7/c1-15(2)10-20-26(39)31-21(11-17-13-30-19-9-7-6-8-18(17)19)27(40)33-22(12-24(37)38)29(42)35(5)14-23(36)34-25(16(3)4)28(41)32-20/h6-9,13,15-16,20-22,25,30H,10-12,14H2,1-5H3,(H,31,39)(H,32,41)(H,33,40)(H,34,36)(H,37,38)/t20-,21+,22+,25+/m1/s1