methyl (2S)-2-[[(3R,4S,6R,7R,8S,8aS)-6-[2-(2-hydroxyethyloxy)phenyl]-5'-[2-(1-oxidanylcycloheptyl)ethynyl]-1,2'-bis(oxidanylidene)-8-[[(2R)-2-oxidanyl-2-phenyl-ethyl]carbamoyl]-3,4-diphenyl-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)-6-[2-(2-hydroxyethyloxy)phenyl]-5'-[2-(1-oxidanylcycloheptyl)ethynyl]-1,2'-bis(oxidanylidene)-8-[[(2R)-2-oxidanyl-2-phenyl-ethyl]carbamoyl]-3,4-diphenyl-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-(1-hydroxycycloheptyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-8-[[(2R)-2-hydroxy-2-phenyl-ethyl]carbamoyl]-1,2'-dioxo-3,4-diphenyl-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-hydroxycycloheptyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-8-[[[(2R)-2-hydroxy-2-phenylethyl]amino]-oxomethyl]-1,2'-dioxo-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-(1-hydroxycycloheptyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-8-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]-1,2'-dioxo-3,4-diphenylspiro[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-(1-hydroxycycloheptyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-8-[[(2R)-2-hydroxy-2-phenyl-ethyl]carbamoyl]-1,2'-diketo-3,4-diphenyl-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: C59H62N4O11 MolecularWeight: 1003.14378

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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(CCCCCC3)O)C4(C1=O)C(C5C(=O)OC(C(N5C4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NCC(C9=CC=CC=C9)O

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CC3(CCCCCC3)O)[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)NC[C@@H](C9=CC=CC=C9)O

InChI

InChI=1S/C59H62N4O11/c1-37(2)48(54(67)72-3)61-57(70)62-44-28-27-38(29-32-58(71)30-17-4-5-18-31-58)35-43(44)59(56(62)69)47(53(66)60-36-45(65)39-19-9-6-10-20-39)50-55(68)74-51(41-23-13-8-14-24-41)49(40-21-11-7-12-22-40)63(50)52(59)42-25-15-16-26-46(42)73-34-33-64/h6-16,19-28,35,37,45,47-52,64-65,71H,4-5,17-18,30-31,33-34,36H2,1-3H3,(H,60,66)(H,61,70)/t45-,47-,48-,49-,50-,51+,52+,59-/m0/s1