methyl (2S)-2-[[(3R,4S,6R,7R,8S,8aS)-5'-[2-(cyclohexen-1-yl)ethynyl]-6-[2-(2-hydroxyethyloxy)phenyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-8-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(3R,4S,6R,7R,8S,8aS)-5'-[2-(cyclohexen-1-yl)ethynyl]-6-[2-(2-hydroxyethyloxy)phenyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-8-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-yl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(3R,4S,6R,7R,8S,8aS)-5'-[2-(cyclohexen-1-yl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-1'-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[(3R,4S,6R,7R,8S,8aS)-5'-[2-(1-cyclohexenyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-8-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,4-diphenyl-1'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]yl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(3R,4S,6R,7R,8S,8aS)-5'-[2-(cyclohexen-1-yl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(3R,4S,6R,7R,8S,8aS)-5'-[2-(cyclohexen-1-yl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-diketo-3,4-diphenyl-8-[4-(2-pyrimidyl)piperazine-1-carbonyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-1'-carbonyl]amino]-3-methyl-butyric acid methyl ester Formula: C58H59N7O9 MolecularWeight: 998.13056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CC3=CCCCC3)C4(C1=O)C(C5C(=O)OC(C(N5C4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N9CCN(CC9)C1=NC=CC=N1

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CC3=CCCCC3)[C@]4(C1=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N9CCN(CC9)C1=NC=CC=N1

InChI

InChI=1S/C58H59N7O9/c1-37(2)47(53(68)72-3)61-57(71)64-44-27-26-39(25-24-38-16-7-4-8-17-38)36-43(44)58(55(64)70)46(52(67)62-30-32-63(33-31-62)56-59-28-15-29-60-56)49-54(69)74-50(41-20-11-6-12-21-41)48(40-18-9-5-10-19-40)65(49)51(58)42-22-13-14-23-45(42)73-35-34-66/h5-6,9-16,18-23,26-29,36-37,46-51,66H,4,7-8,17,30-35H2,1-3H3,(H,61,71)/t46-,47-,48-,49-,50+,51+,58-/m0/s1