propan-2-yl (2S)-2-[[[2-[[(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]oxy]-2-oxidanylidene-ethyl]-phenoxy-phosphoryl]amino]propanoate

Systemtic Name: propan-2-yl (2S)-2-[[[2-[[(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]oxy]-2-oxidanylidene-ethyl]-phenoxy-phosphoryl]amino]propanoate Openeye Name: isopropyl (2S)-2-[[[2-[[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]oxy]-2-oxo-ethyl]-phenoxy-phosphoryl]amino]propanoate CAS Name: (2S)-2-[[[2-[[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]oxy]-2-oxoethyl]-phenoxyphosphoryl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-[[[2-[[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]oxy]-2-oxoethyl]-phenoxyphosphoryl]amino]propanoate Traditional Name: (2S)-2-[[[2-[[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-keto-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]oxy]-2-keto-ethyl]-phenoxy-phosphoryl]amino]propionic acid isopropyl ester Formula: C33H46NO9P MolecularWeight: 631.693401

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O)OC(=O)CP(=O)(NC(C)C(=O)OC(C)C)OC4=CC=CC=C4

Isomeric SMILES

C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)OC(=O)CP(=O)(N[C@@H](C)C(=O)OC(C)C)OC4=CC=CC=C4

InChI

InChI=1S/C33H46NO9P/c1-20(2)40-33(38)23(5)34-44(39,43-26-9-7-6-8-10-26)19-31(37)42-29-16-21(3)15-24-12-11-22(4)28(32(24)29)14-13-27-17-25(35)18-30(36)41-27/h6-12,15,20-23,25,27-29,32,35H,13-14,16-19H2,1-5H3,(H,34,39)/t21-,22-,23-,25+,27+,28-,29-,32-,44?/m0/s1