N-[(E)-[1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanyl-ethylidene]amino]-6-diazanyl-6-oxidanylidene-hexanamide

Systemtic Name: N-[(E)-[1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanyl-ethylidene]amino]-6-diazanyl-6-oxidanylidene-hexanamide Openeye Name: N-[(E)-[1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxy-ethylidene]amino]-6-hydrazino-6-oxo-hexanamide CAS Name: N-[(E)-[1-[(2S,4S)-4-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]amino]-6-hydrazinyl-6-oxohexanamide IUPAC Name: N-[(E)-[1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]amino]-6-hydrazinyl-6-oxohexanamide Traditional Name: N-[(E)-[1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,5,12-trihydroxy-6,11-diketo-7-methoxy-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxy-ethylidene]amino]-6-hydrazino-6-keto-hexanamide Formula: C33H41N5O12 MolecularWeight: 699.70494

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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(=NNC(=O)CCCCC(=O)NN)CO)O)N)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(=N/NC(=O)CCCCC(=O)NN)/CO)O)N)O

InChI

InChI=1S/C33H41N5O12/c1-14-28(42)17(34)10-23(49-14)50-19-12-33(47,20(13-39)37-38-22(41)9-4-3-8-21(40)36-35)11-16-25(19)32(46)27-26(30(16)44)29(43)15-6-5-7-18(48-2)24(15)31(27)45/h5-7,14,17,19,23,28,39,42,44,46-47H,3-4,8-13,34-35H2,1-2H3,(H,36,40)(H,38,41)/b37-20+/t14-,17-,19-,23-,28+,33-/m0/s1