2-[[2-[2-[[2-[2-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]propanoylamino]ethanoylamino]-2-oxidanyl-ethanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]-N-[(4S,6S)-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]-4-methyl-pentanamide

Systemtic Name: 2-[[2-[2-[[2-[2-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]propanoylamino]ethanoylamino]-2-oxidanyl-ethanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]-N-[(4S,6S)-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]-4-methyl-pentanamide Openeye Name: 2-[[2-[[2-[[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]-2-hydroxy-acetyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]-N-[(4S,6S)-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]-4-methyl-pentanamide CAS Name: 2-[[2-[[2-[[2-[[2-[[3-(2,5-dioxo-1-pyrrolyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-2-hydroxy-1-oxoethyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-N-[(4S,6S)-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]-4-methylpentanamide IUPAC Name: 2-[[2-[[2-[[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]-2-hydroxyacetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-N-[(4S,6S)-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]-4-methylpentanamide Traditional Name: N-[(4S,6S)-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]-2-[[2-[[2-[[2-hydroxy-2-[[2-(3-maleimidopropanoylamino)acetyl]amino]acetyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]-4-methyl-valeramide Formula: C51H63N7O20 MolecularWeight: 1094.08082

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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(C)C)NC(=O)CNC(=O)C(NC(=O)CNC(=O)CCN6C(=O)C=CC6=O)O)O

Isomeric SMILES

CC1C([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(C)C)NC(=O)CNC(=O)C(NC(=O)CNC(=O)CCN6C(=O)C=CC6=O)O)O

InChI

InChI=1S/C51H63N7O20/c1-21(2)14-27(55-48(72)41(22(3)4)56-32(62)19-53-49(73)50(74)57-33(63)18-52-31(61)12-13-58-34(64)10-11-35(58)65)47(71)54-26-15-36(77-23(5)42(26)66)78-29-17-51(75,30(60)20-59)16-25-38(29)46(70)40-39(44(25)68)43(67)24-8-7-9-28(76-6)37(24)45(40)69/h7-11,21-23,26-27,29,36,41-42,50,59,66,68,70,74-75H,12-20H2,1-6H3,(H,52,61)(H,53,73)(H,54,71)(H,55,72)(H,56,62)(H,57,63)/t23?,26-,27?,29-,36+,41?,42?,50?,51-/m0/s1