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-heptanoic acid

Systemtic Name: 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-heptanoic acid Openeye 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-tetrahydropyran-4-yl]amino]-7-oxo-heptanoic acid 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 IUPAC 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-methyloxan-4-yl]amino]-7-oxoheptanoic acid 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 Formula: C33H39NO13 MolecularWeight: 657.66166

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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)O)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)O)O

InChI

InChI=1S/C33H39NO13/c1-3-33(45)13-18(47-21-12-16(27(39)14(2)46-21)34-19(36)10-5-4-6-11-20(37)38)23-26(32(33)44)31(43)24-25(30(23)42)29(41)22-15(28(24)40)8-7-9-17(22)35/h7-9,14,16,18,21,27,32,35,39,42-45H,3-6,10-13H2,1-2H3,(H,34,36)(H,37,38)/t14-,16-,18-,21-,27+,32+,33+/m0/s1