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

Systemtic Name: (2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-5-(ethylamino)-6-methyl-3-oxidanyl-4-[(2R,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-11-methoxy-3-methyl-1,6,9,14-tetrakis(oxidanyl)-8,13-bis(oxidanylidene)-5,6-dihydrobenzo[a]tetracen-2-yl]carbonylamino]propanoic acid Openeye Name: (2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-5-(ethylamino)-3-hydroxy-6-methyl-4-[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid CAS Name: (2R)-2-[[[(5S,6S)-5-[[(2S,3R,4S,5S,6R)-5-(ethylamino)-3-hydroxy-6-methyl-4-[[(2R,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracen-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: (2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-5-(ethylamino)-3-hydroxy-6-methyl-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid Traditional Name: (2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-5-(ethylamino)-3-hydroxy-6-methyl-4-[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1,6,9,14-tetrahydroxy-8,13-diketo-11-methoxy-3-methyl-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propionic acid Formula: C41H46N2O18 MolecularWeight: 854.80654

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1C(OC(C(C1OC2C(C(C(CO2)O)O)O)O)OC3C(C4=C(C5=C(C(=C(C=C35)C)C(=O)NC(C)C(=O)O)O)C(=C6C(=C4)C(=O)C7=C(C=C(C=C7C6=O)OC)O)O)O)C

Isomeric SMILES

CCN[C@H]1[C@H](O[C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O)O[C@@H]3[C@H](C4=C(C5=C(C(=C(C=C35)C)C(=O)N[C@H](C)C(=O)O)O)C(=C6C(=C4)C(=O)C7=C(C=C(C=C7C6=O)OC)O)O)O)C

InChI

InChI=1S/C41H46N2O18/c1-6-42-27-14(4)59-41(35(53)37(27)61-40-34(52)31(49)21(45)11-58-40)60-36-19-7-12(2)22(38(54)43-13(3)39(55)56)32(50)25(19)24-17(30(36)48)10-18-26(33(24)51)29(47)16-8-15(57-5)9-20(44)23(16)28(18)46/h7-10,13-14,21,27,30-31,34-37,40-42,44-45,48-53H,6,11H2,1-5H3,(H,43,54)(H,55,56)/t13-,14-,21-,27+,30+,31+,34-,35-,36+,37+,40-,41+/m1/s1