dimethyl 2-[3-[(3R,4S,6R,7R,8S,8aS)-6-[2-(2-hydroxyethyloxy)phenyl]-1,2'-bis(oxidanylidene)-8-[[(2R)-2-oxidanyl-2-phenyl-ethyl]carbamoyl]-3,4-diphenyl-1'-[[(1R)-1-phenylethyl]carbamoyl]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-[2-(2-hydroxyethyloxy)phenyl]-1,2'-bis(oxidanylidene)-8-[[(2R)-2-oxidanyl-2-phenyl-ethyl]carbamoyl]-3,4-diphenyl-1'-[[(1R)-1-phenylethyl]carbamoyl]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-[2-(2-hydroxyethoxy)phenyl]-8-[[(2R)-2-hydroxy-2-phenyl-ethyl]carbamoyl]-1,2'-dioxo-3,4-diphenyl-1'-[[(1R)-1-phenylethyl]carbamoyl]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-[2-(2-hydroxyethoxy)phenyl]-8-[[[(2R)-2-hydroxy-2-phenylethyl]amino]-oxomethyl]-1,2'-dioxo-1'-[oxo-[[(1R)-1-phenylethyl]amino]methyl]-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-[2-(2-hydroxyethoxy)phenyl]-8-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]-1,2'-dioxo-3,4-diphenyl-1'-[[(1R)-1-phenylethyl]carbamoyl]spiro[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)-6-[2-(2-hydroxyethoxy)phenyl]-8-[[(2R)-2-hydroxy-2-phenyl-ethyl]carbamoyl]-1,2'-diketo-3,4-diphenyl-1'-[[(1R)-1-phenylethyl]carbamoyl]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: C60H56N4O12 MolecularWeight: 1025.10624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCC(C(=O)OC)C(=O)OC)C4(C2=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

C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCC(C(=O)OC)C(=O)OC)[C@]4(C2=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/C60H56N4O12/c1-37(39-20-8-4-9-21-39)62-59(72)63-46-32-31-38(19-18-29-44(55(68)73-2)56(69)74-3)35-45(46)60(58(63)71)49(54(67)61-36-47(66)40-22-10-5-11-23-40)51-57(70)76-52(42-26-14-7-15-27-42)50(41-24-12-6-13-25-41)64(51)53(60)43-28-16-17-30-48(43)75-34-33-65/h4-17,20-28,30-32,35,37,44,47,49-53,65-66H,29,33-34,36H2,1-3H3,(H,61,67)(H,62,72)/t37-,47+,49+,50+,51+,52-,53-,60+/m1/s1