(3R,4S,6R,7R,8S,8aS)-5'-[3-(benzotriazol-1-yl)prop-1-ynyl]-6-[2-(2-hydroxyethyloxy)phenyl]-1,2'-bis(oxidanylidene)-N8-[(2R)-2-oxidanyl-2-phenyl-ethyl]-3,4-diphenyl-N1'-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1',8-dicarboxamide

Systemtic Name: (3R,4S,6R,7R,8S,8aS)-5'-[3-(benzotriazol-1-yl)prop-1-ynyl]-6-[2-(2-hydroxyethyloxy)phenyl]-1,2'-bis(oxidanylidene)-N8-[(2R)-2-oxidanyl-2-phenyl-ethyl]-3,4-diphenyl-N1'-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1',8-dicarboxamide Openeye Name: (3R,4S,6R,7R,8S,8aS)-5'-[3-(benzotriazol-1-yl)prop-1-ynyl]-6-[2-(2-hydroxyethoxy)phenyl]-N8-[(2R)-2-hydroxy-2-phenyl-ethyl]-1,2'-dioxo-3,4-diphenyl-N1'-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-1',8-dicarboxamide CAS Name: (3R,4S,6R,7R,8S,8aS)-5'-[3-(1-benzotriazolyl)prop-1-ynyl]-6-[2-(2-hydroxyethoxy)phenyl]-N8-[(2R)-2-hydroxy-2-phenylethyl]-1,2'-dioxo-3,4-diphenyl-N1'-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1',8-dicarboxamide IUPAC Name: (3R,4S,6R,7R,8S,8aS)-5'-[3-(benzotriazol-1-yl)prop-1-ynyl]-6-[2-(2-hydroxyethoxy)phenyl]-8-N-[(2R)-2-hydroxy-2-phenylethyl]-1,2'-dioxo-3,4-diphenyl-1-N'-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1',8-dicarboxamide Traditional Name: (3R,4S,6R,7R,8S,8aS)-5'-[3-(benzotriazol-1-yl)prop-1-ynyl]-6-[2-(2-hydroxyethoxy)phenyl]-N'-[(2R)-2-hydroxy-2-phenyl-ethyl]-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',8-dicarboxamide Formula: C61H53N7O8 MolecularWeight: 1012.11562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCN4C5=CC=CC=C5N=N4)C6(C2=O)C(C7C(=O)OC(C(N7C6C8=CC=CC=C8OCCO)C9=CC=CC=C9)C1=CC=CC=C1)C(=O)NCC(C1=CC=CC=C1)O

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCN4C5=CC=CC=C5N=N4)[C@]6(C2=O)[C@@H]([C@H]7C(=O)O[C@@H]([C@@H](N7[C@@H]6C8=CC=CC=C8OCCO)C9=CC=CC=C9)C1=CC=CC=C1)C(=O)NC[C@@H](C1=CC=CC=C1)O

InChI

InChI=1S/C61H53N7O8/c1-39(41-20-6-2-7-21-41)63-60(74)67-48-33-32-40(19-18-34-66-49-30-16-15-29-47(49)64-65-66)37-46(48)61(59(67)73)52(57(71)62-38-50(70)42-22-8-3-9-23-42)54-58(72)76-55(44-26-12-5-13-27-44)53(43-24-10-4-11-25-43)68(54)56(61)45-28-14-17-31-51(45)75-36-35-69/h2-17,20-33,37,39,50,52-56,69-70H,34-36,38H2,1H3,(H,62,71)(H,63,74)/t39-,50+,52+,53+,54+,55-,56-,61+/m1/s1