sodium 4-[[3-[[1-[[1-[[1-[[(2S,3S,4S,6R)-6-[[(1S,3S)-10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-[[3-[[1-[[1-[[1-[[(2S,3S,4S,6R)-6-[[(1S,3S)-10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propyl]amino]-4-oxidanylidene-butanoate Openeye Name: sodium 4-[[3-[[1-[[2-[[1-[[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]tetrahydropyran-4-yl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-3-oxo-propyl]amino]-4-oxo-butanoate CAS Name: sodium 4-[[3-[[1-[[1-[[1-[[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxy-1-oxoethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-oxanyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]amino]-4-oxobutanoate IUPAC Name: sodium 4-[[3-[[1-[[1-[[1-[[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]amino]-4-oxobutanoate Traditional Name: sodium 4-[[3-[[1-[[2-[[1-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-glycoloyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]carbamoyl]-3-methyl-butyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-3-methyl-butyl]amino]-3-keto-propyl]amino]-4-keto-butyrate Formula: C49H64N5NaO18 MolecularWeight: 1034.04493

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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)CO)O)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CCNC(=O)CCC(=O)[O-])O.[Na+]

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CCNC(=O)CCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C49H65N5O18.Na/c1-21(2)15-28(52-34(58)13-14-50-33(57)11-12-35(59)60)47(67)51-23(5)46(66)54-29(16-22(3)4)48(68)53-27-17-36(71-24(6)41(27)61)72-31-19-49(69,32(56)20-55)18-26-38(31)45(65)40-39(43(26)63)42(62)25-9-8-10-30(70-7)37(25)44(40)64;/h8-10,21-24,27-29,31,36,41,55,61,63,65,69H,11-20H2,1-7H3,(H,50,57)(H,51,67)(H,52,58)(H,53,68)(H,54,66)(H,59,60);/q;+1/p-1/t23?,24-,27-,28?,29?,31-,36-,41+,49-;/m0./s1