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

Systemtic Name: 4-[[(2R,3S,4S,6R)-6-[[(3S)-3-ethanoyl-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(2R,3S,4S,6R)-6-[[(3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2R,3S,4S,6R)-6-[[(3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-4-oxanyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2R,3S,4S,6R)-6-[[(3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(2R,3S,4S,6R)-6-[[(3S)-3-acetyl-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: C30H31NO12 MolecularWeight: 597.56664

Click to see the large picture

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)C)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)C)O)NC(=O)CCC(=O)O)O

InChI

InChI=1S/C30H31NO12/c1-12-25(36)17(31-19(33)7-8-20(34)35)9-21(42-12)43-18-11-30(41,13(2)32)10-16-22(18)29(40)24-23(28(16)39)26(37)14-5-3-4-6-15(14)27(24)38/h3-6,12,17-18,21,25,36,39-41H,7-11H2,1-2H3,(H,31,33)(H,34,35)/t12-,17+,18?,21+,25-,30+/m1/s1