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methyl (2R)-2-[[(5S,6S)-5-[(2R,3S,4R,5R,6S)-4-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-5-(methylamino)-3-oxidanyl-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]propanoate

methyl (2R)-2-[[(5S,6S)-5-[(2R,3S,4R,5R,6S)-4-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-5-(methylamino)-3-oxidanyl-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]propanoate

Systemtic Name:methyl (2R)-2-[[(5S,6S)-5-[(2R,3S,4R,5R,6S)-4-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-5-(methylamino)-3-oxidanyl-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]propanoate
Openeye Name:methyl (2R)-2-[[(5S,6S)-1,6,9,14-tetrahydroxy-5-[(2R,3S,4R,5R,6S)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoate
CAS Name:(2R)-2-[[oxo-[(5S,6S)-1,6,9,14-tetrahydroxy-5-[[(2R,3S,4R,5R,6S)-3-hydroxy-6-methyl-5-(methylamino)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracen-2-yl]methyl]amino]propanoic acid methyl ester
IUPAC Name:methyl (2R)-2-[[(5S,6S)-1,6,9,14-tetrahydroxy-5-[(2R,3S,4R,5R,6S)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoate
Traditional Name:(2R)-2-[[(5S,6S)-1,6,9,14-tetrahydroxy-5-[(2R,3S,4R,5R,6S)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-8,13-diketo-11-methoxy-3-methyl-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propionic acid methyl ester
Formula: C42H48N2O19
MolecularWeight: 884.83252
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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C3=C(C4=C(C(=C(C=C24)C)C(=O)NC(C)C(=O)OC)O)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)OC)O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)NC


Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O[C@@H]2[C@H](C3=C(C4=C(C(=C(C=C24)C)C(=O)N[C@H](C)C(=O)OC)O)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)OC)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)NC


InChI

InChI=1S/C42H48N2O19/c1-12-7-19-25(32(51)22(12)39(56)44-13(2)40(57)59-6)24-17(10-18-26(33(24)52)29(48)16-8-15(58-5)9-20(46)23(16)28(18)47)30(49)37(19)62-42-36(55)38(27(43-4)14(3)60-42)63-41-35(54)34(53)31(50)21(11-45)61-41/h7-10,13-14,21,27,30-31,34-38,41-43,45-46,49-55H,11H2,1-6H3,(H,44,56)/t13-,14+,21-,27-,30+,31-,34+,35-,36+,37+,38-,41+,42-/m1/s1


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