[2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanylidene-ethyl] 2-(9H-fluoren-9-ylmethoxycarbonylamino)ethanoate

Systemtic Name: [2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanylidene-ethyl] 2-(9H-fluoren-9-ylmethoxycarbonylamino)ethanoate Openeye Name: [2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxo-ethyl] 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate CAS Name: 2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]acetic acid [2-[(2S,4S)-4-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate Traditional Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid [2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,5,12-trihydroxy-6,11-diketo-7-methoxy-3,4-dihydro-1H-tetracen-2-yl]-2-keto-ethyl] ester Formula: C44H42N2O14 MolecularWeight: 822.80928

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)COC(=O)CNC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)O)N)O

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)COC(=O)CNC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)O)N)O

InChI

InChI=1S/C44H42N2O14/c1-20-38(49)28(45)14-33(59-20)60-30-16-44(55,15-26-35(30)42(53)37-36(40(26)51)39(50)25-12-7-13-29(56-2)34(25)41(37)52)31(47)19-57-32(48)17-46-43(54)58-18-27-23-10-5-3-8-21(23)22-9-4-6-11-24(22)27/h3-13,20,27-28,30,33,38,49,51,53,55H,14-19,45H2,1-2H3,(H,46,54)/t20-,28-,30-,33-,38+,44-/m0/s1