(3S,6R,9S,12S,15R)-12-(2-azanylethyl)-9-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone

Systemtic Name: (3S,6R,9S,12S,15R)-12-(2-azanylethyl)-9-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone Openeye Name: (3S,6R,9S,12S,15R)-12-(2-aminoethyl)-9-(1H-indol-3-ylmethyl)-6-isobutyl-3-isopropyl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone CAS Name: (3S,6R,9S,12S,15R)-12-(2-aminoethyl)-9-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone IUPAC Name: (3S,6R,9S,12S,15R)-12-(2-aminoethyl)-9-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone Traditional Name: (3S,6R,9S,12S,15R)-12-(2-aminoethyl)-9-(1H-indol-3-ylmethyl)-6-isobutyl-3-isopropyl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone Formula: C31H45N7O5 MolecularWeight: 595.7329

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N1)CC3=CNC4=CC=CC=C43)CCN)C(C)C

Isomeric SMILES

CC(C)C[C@@H]1C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CNC4=CC=CC=C43)CCN)C(C)C

InChI

InChI=1S/C31H45N7O5/c1-17(2)14-23-29(41)37-26(18(3)4)31(43)38-13-7-10-25(38)30(42)34-22(11-12-32)27(39)36-24(28(40)35-23)15-19-16-33-21-9-6-5-8-20(19)21/h5-6,8-9,16-18,22-26,33H,7,10-15,32H2,1-4H3,(H,34,42)(H,35,40)(H,36,39)(H,37,41)/t22-,23+,24-,25+,26-/m0/s1