2-azanyl-5-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoic acid; 7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-9-ethanoyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione; hydrochloride

Systemtic Name: 2-azanyl-5-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoic acid; 7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-9-ethanoyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione; hydrochloride Openeye Name: 9-acetyl-7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; 2-amino-5-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-5-oxo-pentanoic acid; hydrochloride CAS Name: 9-acetyl-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; 2-amino-5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-oxopentanoic acid; hydrochloride IUPAC Name: 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; 2-amino-5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-oxopentanoic acid; hydrochloride Traditional Name: 9-acetyl-7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone; 2-amino-5-[(2-hydroxy-1,1-dimethylol-ethyl)amino]-5-keto-valeric acid; hydrochloride Formula: C36H48ClN3O16 MolecularWeight: 814.22982

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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=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)O.C(CC(=O)NC(CO)(CO)CO)C(C(=O)O)N.Cl

Isomeric SMILES

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)O.C(CC(=O)NC(CO)(CO)CO)C(C(=O)O)N.Cl

InChI

InChI=1S/C27H29NO10.C9H18N2O6.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;10-6(8(16)17)1-2-7(15)11-9(3-12,4-13)5-14;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;6,12-14H,1-5,10H2,(H,11,15)(H,16,17);1H