COUMERMYCIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C55H59N5O20
Molecular Weight	1110.0785
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H]1[C@@H](OC(=O)C2=CC=C(C)N2)[C@@H](O)[C@H](OC3=C(C)C4=C(C=C3)C(O)=C(NC(=O)C5=CNC(C(=O)NC6=C(O)C7=C(OC6=O)C(C)=C(O[C@@H]8OC(C)(C)[C@H](OC)[C@@H](OC(=O)C9=CC=C(C)N9)[C@H]8O)C=C7)=C5C)C(=O)O4)OC1(C)C

InChI

InChIKey=WTIJXIZOODAMJT-DHFGXMAYSA-N

InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C55H59N5O20
Molecular Weight	1110.0785
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:52:33 UTC 2023` Edited by `admin` on `Sat Dec 16 15:52:33 UTC 2023`
Record UNII	PCH9QZ1IIH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

COUMERMYCIN

Official Name

English

COUMAMYCIN

Official Name

English

1H-PYRROLE-2,4-DICARBOXAMIDE, N2,N4-BIS(7-((6-DEOXY-5-C-METHYL-4-O-METHYL-3-O-((5-METHYL-1H-PYRROL-2-YL)CARBONYL)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-4-HYDROXY-8-METHYL-2-OXO-2H-1-BENZOPYRAN-3-YL)-3-METHYL-

Common Name

English

5-METHYLPYYROLE-2-CARBOXYLIC ACID, DIESTER WITH 3,3'-((3-METHYLPYRROLE-2,4-DIYL)BIS(CARBONYLIMINO))BIS(4-HYDROXY-8-METHYL-7-((TETRAHYDRO-3,4-DIHYDROXY-5-METHOXY-6,6-DIMETHYLPYRAN-2-YL)OXY)COUMARIN)

Common Name

English

NSC-107412

Code

English

coumamycin [INN]

Common Name

English

NOTOMYCIN A1

Common Name

English

COUMERMYCIN [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C258