(2S)-2-[[(5R,6S)-11-methoxy-5-[(2S,3R,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,6,9,14-tetrakis(oxidanyl)-8,13-bis(oxidanylidene)-5,6-dihydrobenzo[a]tetracen-2-yl]carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[(5R,6S)-11-methoxy-5-[(2S,3R,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,6,9,14-tetrakis(oxidanyl)-8,13-bis(oxidanylidene)-5,6-dihydrobenzo[a]tetracen-2-yl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-3-hydroxy-2-[[(5R,6S)-1,6,9,14-tetrahydroxy-11-methoxy-8,13-dioxo-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid CAS Name: (2S)-3-hydroxy-2-[[oxo-[(5R,6S)-1,6,9,14-tetrahydroxy-11-methoxy-8,13-dioxo-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-5,6-dihydrobenzo[a]tetracen-2-yl]methyl]amino]propanoic acid IUPAC Name: (2S)-3-hydroxy-2-[[(5R,6S)-1,6,9,14-tetrahydroxy-11-methoxy-8,13-dioxo-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid Traditional Name: (2S)-3-hydroxy-2-[[(5R,6S)-1,6,9,14-tetrahydroxy-8,13-diketo-11-methoxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propionic acid Formula: C33H31NO16 MolecularWeight: 697.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C3=C(C4=C2C=CC(=C4O)C(=O)NC(CO)C(=O)O)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)OC)O)O)O)O)O)O

Isomeric SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C3=C(C4=C2C=CC(=C4O)C(=O)N[C@@H](CO)C(=O)O)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)OC)O)O)O)O)O)O

InChI

InChI=1S/C33H31NO16/c1-9-22(37)28(43)29(44)33(49-9)50-30-11-3-4-12(31(45)34-16(8-35)32(46)47)23(38)19(11)20-14(26(30)41)7-15-21(27(20)42)25(40)13-5-10(48-2)6-17(36)18(13)24(15)39/h3-7,9,16,22,26,28-30,33,35-38,41-44H,8H2,1-2H3,(H,34,45)(H,46,47)/t9-,16+,22+,26+,28+,29-,30-,33+/m1/s1