methyl 7-[[(2S,3S,4S,6R)-6-[[(1S,3R,4R)-3-ethyl-3,4,5,10,12-pentakis(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]-7-oxidanylidene-heptanoate

Systemtic Name: methyl 7-[[(2S,3S,4S,6R)-6-[[(1S,3R,4R)-3-ethyl-3,4,5,10,12-pentakis(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]-7-oxidanylidene-heptanoate Openeye Name: methyl 7-[[(2S,3S,4S,6R)-6-[[(1S,3R,4R)-3-ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]amino]-7-oxo-heptanoate CAS Name: 7-[[(2S,3S,4S,6R)-6-[[(1S,3R,4R)-3-ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-4-oxanyl]amino]-7-oxoheptanoic acid methyl ester IUPAC Name: methyl 7-[[(2S,3S,4S,6R)-6-[[(1S,3R,4R)-3-ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]-7-oxoheptanoate Traditional Name: 7-[[(2S,3S,4S,6R)-6-[[(1S,3R,4R)-3-ethyl-3,4,5,10,12-pentahydroxy-6,11-diketo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]amino]-7-keto-enanthic acid methyl ester Formula: C34H41NO13 MolecularWeight: 671.68824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C2=C(C3=C(C(=C2C1O)O)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)O)NC(=O)CCCCCC(=O)OC)O

Isomeric SMILES

CC[C@]1(C[C@@H](C2=C(C3=C(C(=C2[C@H]1O)O)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)NC(=O)CCCCCC(=O)OC)O

InChI

InChI=1S/C34H41NO13/c1-4-34(45)14-19(48-22-13-17(28(39)15(2)47-22)35-20(37)11-6-5-7-12-21(38)46-3)24-27(33(34)44)32(43)25-26(31(24)42)30(41)23-16(29(25)40)9-8-10-18(23)36/h8-10,15,17,19,22,28,33,36,39,42-45H,4-7,11-14H2,1-3H3,(H,35,37)/t15-,17-,19-,22-,28+,33+,34+/m0/s1