dimethyl 2-[3-[(3R,4S,6R,7R,8S,8aS)-8-aminocarbonyl-6-[4-(2-hydroxyethyloxy)phenyl]-1'-[(4-nitrophenyl)methoxycarbonyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-5'-yl]prop-2-ynyl]propanedioate

Systemtic Name: dimethyl 2-[3-[(3R,4S,6R,7R,8S,8aS)-8-aminocarbonyl-6-[4-(2-hydroxyethyloxy)phenyl]-1'-[(4-nitrophenyl)methoxycarbonyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-5'-yl]prop-2-ynyl]propanedioate Openeye Name: dimethyl 2-[3-[(3R,4S,6R,7R,8S,8aS)-8-carbamoyl-6-[4-(2-hydroxyethoxy)phenyl]-1'-[(4-nitrophenyl)methoxycarbonyl]-1,2'-dioxo-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-5'-yl]prop-2-ynyl]propanedioate CAS Name: 2-[3-[(3R,4S,6R,7R,8S,8aS)-8-carbamoyl-6-[4-(2-hydroxyethoxy)phenyl]-1'-[(4-nitrophenyl)methoxy-oxomethyl]-1,2'-dioxo-3,4-diphenyl-5'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]yl]prop-2-ynyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[3-[(3R,4S,6R,7R,8S,8aS)-8-carbamoyl-6-[4-(2-hydroxyethoxy)phenyl]-1'-[(4-nitrophenyl)methoxycarbonyl]-1,2'-dioxo-3,4-diphenylspiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-5'-yl]prop-2-ynyl]propanedioate Traditional Name: 2-[3-[(3R,4S,6R,7R,8S,8aS)-8-carbamoyl-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-diketo-1'-(4-nitrobenzyl)oxycarbonyl-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-5'-yl]prop-2-ynyl]malonic acid dimethyl ester Formula: C51H44N4O14 MolecularWeight: 936.91346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#CC1=CC2=C(C=C1)N(C(=O)C23C(C4C(=O)OC(C(N4C3C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N)C(=O)OCC8=CC=C(C=C8)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C(CC#CC1=CC2=C(C=C1)N(C(=O)[C@]23[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N)C(=O)OCC8=CC=C(C=C8)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C51H44N4O14/c1-65-46(58)37(47(59)66-2)15-9-10-30-18-25-39-38(28-30)51(49(61)53(39)50(62)68-29-31-16-21-35(22-17-31)55(63)64)40(45(52)57)42-48(60)69-43(33-13-7-4-8-14-33)41(32-11-5-3-6-12-32)54(42)44(51)34-19-23-36(24-20-34)67-27-26-56/h3-8,11-14,16-25,28,37,40-44,56H,15,26-27,29H2,1-2H3,(H2,52,57)/t40-,41-,42-,43+,44+,51-/m0/s1