4-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(1S)-2-[[2-[[(1S)-2-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]amino]-1-benzyl-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-4-oxanyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(1S)-2-[[2-[[(1S)-2-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]amino]-1-benzyl-2-keto-ethyl]amino]-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C51H54N4O16 MolecularWeight: 978.99166

Click to see the large picture

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)NC(=O)C(CC6=CC=CC=C6)NC(=O)CNC(=O)C(CC7=CC=CC=C7)NC(=O)CCC(=O)O)O

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)C)O)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)CNC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CCC(=O)O)O

InChI

InChI=1S/C51H54N4O16/c1-25-44(61)31(55-50(67)33(20-28-13-8-5-9-14-28)54-37(58)24-52-49(66)32(19-27-11-6-4-7-12-27)53-36(57)17-18-38(59)60)21-39(70-25)71-35-23-51(68,26(2)56)22-30-41(35)48(65)43-42(46(30)63)45(62)29-15-10-16-34(69-3)40(29)47(43)64/h4-16,25,31-33,35,39,44,61,63,65,68H,17-24H2,1-3H3,(H,52,66)(H,53,57)(H,54,58)(H,55,67)(H,59,60)/t25-,31-,32-,33-,35-,39-,44+,51-/m0/s1