2-methoxyethyl (3R,4S,6R,7R,8S,8aS)-5'-[3-(aminocarbonylamino)prop-1-ynyl]-8-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-6-[4-(2-hydroxyethyloxy)phenyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate

Systemtic Name: 2-methoxyethyl (3R,4S,6R,7R,8S,8aS)-5'-[3-(aminocarbonylamino)prop-1-ynyl]-8-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-6-[4-(2-hydroxyethyloxy)phenyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate Openeye Name: 2-methoxyethyl (3R,4S,6R,7R,8S,8aS)-8-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-5'-(3-ureidoprop-1-ynyl)spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-1'-carboxylate CAS Name: (3R,4S,6R,7R,8S,8aS)-5'-[3-(carbamoylamino)prop-1-ynyl]-8-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-1'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (3R,4S,6R,7R,8S,8aS)-5'-[3-(carbamoylamino)prop-1-ynyl]-8-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenylspiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate Traditional Name: (3R,4S,6R,7R,8S,8aS)-8-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-diketo-3,4-diphenyl-5'-(3-ureidoprop-1-ynyl)spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-1'-carboxylic acid 2-methoxyethyl ester Formula: C54H53N5O12 MolecularWeight: 964.02492

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)N1C2=C(C=C(C=C2)C#CCNC(=O)N)C3(C1=O)C(C4C(=O)OC(C(N4C3C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCC9=CC(=C(C=C9C8)OC)OC

Isomeric SMILES

COCCOC(=O)N1C2=C(C=C(C=C2)C#CCNC(=O)N)[C@]3(C1=O)[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)N8CCC9=CC(=C(C=C9C8)OC)OC

InChI

InChI=1S/C54H53N5O12/c1-66-27-28-70-53(65)58-41-21-16-33(11-10-23-56-52(55)64)29-40(41)54(51(58)63)44(49(61)57-24-22-37-30-42(67-2)43(68-3)31-38(37)32-57)46-50(62)71-47(35-14-8-5-9-15-35)45(34-12-6-4-7-13-34)59(46)48(54)36-17-19-39(20-18-36)69-26-25-60/h4-9,12-21,29-31,44-48,60H,22-28,32H2,1-3H3,(H3,55,56,64)/t44-,45-,46-,47+,48+,54-/m0/s1