N-[(E)-[1-[(2R,4S)-4-[[(4S,5S,6S)-4-azanyl-5,6-dimethyl-5-oxidanyl-oxan-2-yl]oxymethyl]-7-methoxy-4-methyl-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-1,3-dihydrotetracen-2-yl]-2-oxidanyl-ethylidene]amino]-3-[2,5-bis(oxidanylidene)pyrrol-1-yl]propanamide chloride

Systemtic Name: N-[(E)-[1-[(2R,4S)-4-[[(4S,5S,6S)-4-azanyl-5,6-dimethyl-5-oxidanyl-oxan-2-yl]oxymethyl]-7-methoxy-4-methyl-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-1,3-dihydrotetracen-2-yl]-2-oxidanyl-ethylidene]amino]-3-[2,5-bis(oxidanylidene)pyrrol-1-yl]propanamide chloride Openeye Name: N-[(E)-[1-[(2R,4S)-4-[[(4S,5S,6S)-4-amino-5-hydroxy-5,6-dimethyl-tetrahydropyran-2-yl]oxymethyl]-2,5,12-trihydroxy-7-methoxy-4-methyl-6,11-dioxo-1,3-dihydrotetracen-2-yl]-2-hydroxy-ethylidene]amino]-3-(2,5-dioxopyrrol-1-yl)propanamide chloride CAS Name: N-[(E)-[1-[(2R,4S)-4-[[(4S,5S,6S)-4-amino-5-hydroxy-5,6-dimethyl-2-oxanyl]oxymethyl]-2,5,12-trihydroxy-7-methoxy-4-methyl-6,11-dioxo-1,3-dihydrotetracen-2-yl]-2-hydroxyethylidene]amino]-3-(2,5-dioxo-1-pyrrolyl)propanamide chloride IUPAC Name: N-[(E)-[1-[(2R,4S)-4-[[(4S,5S,6S)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]oxymethyl]-2,5,12-trihydroxy-7-methoxy-4-methyl-6,11-dioxo-1,3-dihydrotetracen-2-yl]-2-hydroxyethylidene]amino]-3-(2,5-dioxopyrrol-1-yl)propanamide chloride Traditional Name: N-[(E)-[1-[(2R,4S)-4-[[(4S,5S,6S)-4-amino-5-hydroxy-5,6-dimethyl-tetrahydropyran-2-yl]oxymethyl]-2,5,12-trihydroxy-6,11-diketo-7-methoxy-4-methyl-1,3-dihydrotetracen-2-yl]-2-hydroxy-ethylidene]amino]-3-maleimido-propionamide chloride Formula: C37H42ClN4O13- MolecularWeight: 786.20138

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OCC2(CC(CC3=C(C4=C(C(=C32)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=NNC(=O)CCN6C(=O)C=CC6=O)CO)O)C)N)(C)O.[Cl-]

Isomeric SMILES

C[C@H]1[C@@]([C@H](CC(O1)OC[C@]2(C[C@@](CC3=C(C4=C(C(=C32)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(/C(=N/NC(=O)CCN6C(=O)C=CC6=O)/CO)O)C)N)(C)O.[Cl-]

InChI

InChI=1S/C37H42N4O13.ClH/c1-17-36(3,50)21(38)12-26(54-17)53-16-35(2)15-37(51,22(14-42)39-40-23(43)10-11-41-24(44)8-9-25(41)45)13-19-30(35)34(49)29-28(32(19)47)31(46)18-6-5-7-20(52-4)27(18)33(29)48;/h5-9,17,21,26,42,47,49-51H,10-16,38H2,1-4H3,(H,40,43);1H/p-1/b39-22+;/t17-,21-,26?,35+,36+,37-;/m0./s1