dimethyl 2-[3-[(3R,4S,6R,7R,8S,8aS)-6-[4-(2-hydroxyethyloxy)phenyl]-1'-[[(2S)-1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]-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]-5'-yl]prop-2-ynyl]propanedioate

Systemtic Name: dimethyl 2-[3-[(3R,4S,6R,7R,8S,8aS)-6-[4-(2-hydroxyethyloxy)phenyl]-1'-[[(2S)-1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]-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]-5'-yl]prop-2-ynyl]propanedioate Openeye Name: dimethyl 2-[3-[(3R,4S,6R,7R,8S,8aS)-6-[4-(2-hydroxyethoxy)phenyl]-8-[[(2R)-2-hydroxy-2-phenyl-ethyl]carbamoyl]-1'-[[(1S)-1-methoxycarbonyl-2-methyl-propyl]carbamoyl]-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)-6-[4-(2-hydroxyethoxy)phenyl]-8-[[[(2R)-2-hydroxy-2-phenylethyl]amino]-oxomethyl]-1'-[[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-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)-6-[4-(2-hydroxyethoxy)phenyl]-8-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]-1'-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl]-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)-1'-[[(1S)-1-carbomethoxy-2-methyl-propyl]carbamoyl]-6-[4-(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]-5'-yl]prop-2-ynyl]malonic acid dimethyl ester Formula: C58H58N4O14 MolecularWeight: 1035.09952

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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#CCC(C(=O)OC)C(=O)OC)C3(C1=O)C(C4C(=O)OC(C(N4C3C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NCC(C8=CC=CC=C8)O

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CCC(C(=O)OC)C(=O)OC)[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)NC[C@@H](C8=CC=CC=C8)O

InChI

InChI=1S/C58H58N4O14/c1-34(2)46(54(68)74-5)60-57(71)61-43-29-24-35(16-15-23-41(52(66)72-3)53(67)73-4)32-42(43)58(56(61)70)45(51(65)59-33-44(64)36-17-9-6-10-18-36)48-55(69)76-49(38-21-13-8-14-22-38)47(37-19-11-7-12-20-37)62(48)50(58)39-25-27-40(28-26-39)75-31-30-63/h6-14,17-22,24-29,32,34,41,44-50,63-64H,23,30-31,33H2,1-5H3,(H,59,65)(H,60,71)/t44-,45-,46-,47-,48-,49+,50+,58-/m0/s1