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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H21Cl2N3O7
Molecular Weight 570.378
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of REBECCAMYCIN

SMILES

CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)N2C3=C4NC5=C(C=CC=C5Cl)C4=C6C(=O)NC(=O)C6=C3C7=CC=CC(Cl)=C27

InChI

InChIKey=QEHOIJJIZXRMAN-QZQSLCQPSA-N
InChI=1S/C27H21Cl2N3O7/c1-38-24-13(8-33)39-27(23(35)22(24)34)32-20-10(5-3-7-12(20)29)15-17-16(25(36)31-26(17)37)14-9-4-2-6-11(28)18(9)30-19(14)21(15)32/h2-7,13,22-24,27,30,33-35H,8H2,1H3,(H,31,36,37)/t13-,22-,23-,24-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H21Cl2N3O7
Molecular Weight 570.378
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Record UNII
Y96MQM21V9
Record Status Validated (UNII)
Record Version