(3R,4S,6R,7R,8S,8aS)-6-[4-(2-hydroxyethyloxy)phenyl]-5'-[3-[methyl-(phenylmethyl)amino]prop-1-ynyl]-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]-8-carboxylic acid

Systemtic Name: (3R,4S,6R,7R,8S,8aS)-6-[4-(2-hydroxyethyloxy)phenyl]-5'-[3-[methyl-(phenylmethyl)amino]prop-1-ynyl]-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]-8-carboxylic acid Openeye Name: (3R,4S,6R,7R,8S,8aS)-5'-[3-[benzyl(methyl)amino]prop-1-ynyl]-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]-8-carboxylic acid CAS Name: (3R,4S,6R,7R,8S,8aS)-6-[4-(2-hydroxyethoxy)phenyl]-5'-[3-[methyl-(phenylmethyl)amino]prop-1-ynyl]-1'-[(4-nitrophenyl)methoxy-oxomethyl]-1,2'-dioxo-3,4-diphenyl-8-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]carboxylic acid IUPAC Name: (3R,4S,6R,7R,8S,8aS)-5'-[3-[benzyl(methyl)amino]prop-1-ynyl]-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]-8-carboxylic acid Traditional Name: (3R,4S,6R,7R,8S,8aS)-5'-[3-[benzyl(methyl)amino]prop-1-ynyl]-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]-8-carboxylic acid Formula: C54H46N4O11 MolecularWeight: 926.96324

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Descriptors Computed from Structure

Canonical SMILES:

CN(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)O)C(=O)OCC8=CC=C(C=C8)[N+](=O)[O-])CC9=CC=CC=C9

Isomeric SMILES

CN(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)O)C(=O)OCC8=CC=C(C=C8)[N+](=O)[O-])CC9=CC=CC=C9

InChI

InChI=1S/C54H46N4O11/c1-55(33-36-12-5-2-6-13-36)29-11-14-35-21-28-44-43(32-35)54(52(63)56(44)53(64)68-34-37-19-24-41(25-20-37)58(65)66)45(50(60)61)47-51(62)69-48(39-17-9-4-10-18-39)46(38-15-7-3-8-16-38)57(47)49(54)40-22-26-42(27-23-40)67-31-30-59/h2-10,12-13,15-28,32,45-49,59H,29-31,33-34H2,1H3,(H,60,61)/t45-,46-,47-,48+,49+,54-/m0/s1