(3S,7R,10S,13S,16S)-13-ethyl-3-(1-hydroxyethyl)-10-(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadec-17-ene-2,5,9,12,15-pentone

Systemtic Name: (3S,7R,10S,13S,16S)-13-ethyl-3-(1-hydroxyethyl)-10-(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadec-17-ene-2,5,9,12,15-pentone Openeye Name: (3S,7R,10S,13S,16S)-13-ethyl-3-(1-hydroxyethyl)-10-(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadec-17-ene-2,5,9,12,15-pentone CAS Name: (3S,7R,10S,13S,16S)-13-ethyl-3-(1-hydroxyethyl)-10-(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadec-17-ene-2,5,9,12,15-pentone IUPAC Name: (3S,7R,10S,13S,16S)-13-ethyl-3-(1-hydroxyethyl)-10-(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadec-17-ene-2,5,9,12,15-pentone Traditional Name: (3S,7R,10S,13S,16S)-13-ethyl-3-(1-hydroxyethyl)-10-methylol-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadec-17-ene-2,5,9,12,15-pentone Formula: C25H33N5O7 MolecularWeight: 515.55882

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)N2CC=CC2C(=O)N1)C(C)O)C3=CC=CC=C3)CO

Isomeric SMILES

CC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CC(=O)N[C@H](C(=O)N2CC=C[C@H]2C(=O)N1)C(C)O)C3=CC=CC=C3)CO

InChI

InChI=1S/C25H33N5O7/c1-3-16-22(34)28-18(13-31)23(35)27-17(15-8-5-4-6-9-15)12-20(33)29-21(14(2)32)25(37)30-11-7-10-19(30)24(36)26-16/h4-10,14,16-19,21,31-32H,3,11-13H2,1-2H3,(H,26,36)(H,27,35)(H,28,34)(H,29,33)/t14?,16-,17+,18-,19-,21-/m0/s1