4-[[(2R,3S,4S,6R)-2-methyl-3-oxidanyl-6-[[(3S)-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(2R,3S,4S,6R)-2-methyl-3-oxidanyl-6-[[(3S)-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(2R,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]tetrahydropyran-4-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2R,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(3S)-3,5,12-trihydroxy-3-(2-hydroxy-1-oxoethyl)-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-oxanyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2R,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(2R,3S,4S,6R)-6-[[(3S)-3-glycoloyl-3,5,12-trihydroxy-6,11-diketo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]amino]-4-keto-butyric acid Formula: C30H31NO13 MolecularWeight: 613.56604

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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=CC=CC=C5C4=O)O)(C(=O)CO)O)NC(=O)CCC(=O)O)O

Isomeric SMILES

C[C@@H]1[C@H]([C@H](C[C@@H](O1)OC2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CO)O)NC(=O)CCC(=O)O)O

InChI

InChI=1S/C30H31NO13/c1-12-25(37)16(31-19(34)6-7-20(35)36)8-21(43-12)44-17-10-30(42,18(33)11-32)9-15-22(17)29(41)24-23(28(15)40)26(38)13-4-2-3-5-14(13)27(24)39/h2-5,12,16-17,21,25,32,37,40-42H,6-11H2,1H3,(H,31,34)(H,35,36)/t12-,16+,17?,21+,25-,30+/m1/s1