N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-7-[3-[[(3R)-2-methyl-3-oxidanyl-butyl]amino]prop-1-ynyl]-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxamide

Systemtic Name: N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-7-[3-[[(3R)-2-methyl-3-oxidanyl-butyl]amino]prop-1-ynyl]-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxamide Openeye Name: 7-[3-[[(3R)-3-hydroxy-2-methyl-butyl]amino]prop-1-ynyl]-N-[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxamide CAS Name: N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-7-[3-[[(3R)-3-hydroxy-2-methylbutyl]amino]prop-1-ynyl]-2,3,4,5-tetrahydro-1-benzoxepin-9-carboxamide IUPAC Name: N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-7-[3-[[(3R)-3-hydroxy-2-methylbutyl]amino]prop-1-ynyl]-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxamide Traditional Name: N-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-7-[3-[[(3R)-3-hydroxy-2-methyl-butyl]amino]prop-1-ynyl]-2,3,4,5-tetrahydro-1-benzoxepin-9-carboxamide Formula: C30H37N3O4 MolecularWeight: 503.63248

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC#CC1=CC(=C2C(=C1)CCCCO2)C(=O)NC(CC3=CNC4=CC=CC=C43)CO)C(C)O

Isomeric SMILES

C[C@H](C(C)CNCC#CC1=CC(=C2C(=C1)CCCCO2)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)CO)O

InChI

InChI=1S/C30H37N3O4/c1-20(21(2)35)17-31-12-7-8-22-14-23-9-5-6-13-37-29(23)27(15-22)30(36)33-25(19-34)16-24-18-32-28-11-4-3-10-26(24)28/h3-4,10-11,14-15,18,20-21,25,31-32,34-35H,5-6,9,12-13,16-17,19H2,1-2H3,(H,33,36)/t20?,21-,25-/m1/s1