(3R,4S,6R,7R,8S,8aS)-8-(azocan-1-ylcarbonyl)-6-[4-(2-hydroxyethyloxy)phenyl]-5'-[3-[methyl-(phenylmethyl)amino]prop-1-ynyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-N-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxamide

Systemtic Name: (3R,4S,6R,7R,8S,8aS)-8-(azocan-1-ylcarbonyl)-6-[4-(2-hydroxyethyloxy)phenyl]-5'-[3-[methyl-(phenylmethyl)amino]prop-1-ynyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-N-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxamide Openeye Name: (3R,4S,6R,7R,8S,8aS)-8-(azocane-1-carbonyl)-5'-[3-[benzyl(methyl)amino]prop-1-ynyl]-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-N-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-1'-carboxamide CAS Name: (3R,4S,6R,7R,8S,8aS)-8-[1-azocanyl(oxo)methyl]-6-[4-(2-hydroxyethoxy)phenyl]-5'-[3-[methyl-(phenylmethyl)amino]prop-1-ynyl]-1,2'-dioxo-3,4-diphenyl-N-[(1R)-1-phenylethyl]-1'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]carboxamide IUPAC Name: (3R,4S,6R,7R,8S,8aS)-8-(azocane-1-carbonyl)-5'-[3-[benzyl(methyl)amino]prop-1-ynyl]-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-N-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxamide Traditional Name: (3R,4S,6R,7R,8S,8aS)-8-(azocane-1-carbonyl)-5'-[3-[benzyl(methyl)amino]prop-1-ynyl]-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-diketo-3,4-diphenyl-N-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-1'-carboxamide Formula: C62H63N5O7 MolecularWeight: 990.19292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCN(C)CC4=CC=CC=C4)C5(C2=O)C(C6C(=O)OC(C(N6C5C7=CC=C(C=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)N1CCCCCCC1

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCN(C)CC4=CC=CC=C4)[C@]5(C2=O)[C@@H]([C@H]6C(=O)O[C@@H]([C@@H](N6[C@@H]5C7=CC=C(C=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)N1CCCCCCC1

InChI

InChI=1S/C62H63N5O7/c1-43(46-24-12-7-13-25-46)63-61(72)66-52-35-30-44(23-20-36-64(2)42-45-21-10-6-11-22-45)41-51(52)62(60(66)71)53(58(69)65-37-18-4-3-5-19-38-65)55-59(70)74-56(48-28-16-9-17-29-48)54(47-26-14-8-15-27-47)67(55)57(62)49-31-33-50(34-32-49)73-40-39-68/h6-17,21-22,24-35,41,43,53-57,68H,3-5,18-19,36-40,42H2,1-2H3,(H,63,72)/t43-,53+,54+,55+,56-,57-,62+/m1/s1