PHLEOMYCIN

Details

Stereochemistry	UNKNOWN
Molecular Formula	C51H75N17O21S2
Molecular Weight	1326.373
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(NC(=O)C(NC(=O)C1=NC(=NC(N)=C1C)C(CC(N)=O)NCC(N)C(N)=O)C(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@]2(C)O[C@@H]3OC(CO)[C@H](O)[C@@](O)([C@H]3O)C(N)=O)C4=CN=CN4)C(O)C(C)C(=O)NC(C(C)=O)C(=O)NCCC5=NC(CS5)C6=NC(=CS6)C(N)=O

InChI

InChIKey=QRBLKGHRWFGINE-UGWAGOLRSA-N

InChI=1S/C51H75N17O21S2/c1-16-29(65-41(68-38(16)54)21(8-27(53)72)60-9-20(52)39(55)78)44(82)67-31(34(22-10-58-15-61-22)88-49-50(5,36(76)33(74)25(11-69)87-49)89-47-37(77)51(85,48(57)84)35(75)26(12-70)86-47)45(83)62-18(3)32(73)17(2)42(80)66-30(19(4)71)43(81)59-7-6-28-63-24(14-90-28)46-64-23(13-91-46)40(56)79/h10,13,15,17-18,20-21,24-26,30-37,47,49,60,69-70,73-77,85H,6-9,11-12,14,52H2,1-5H3,(H2,53,72)(H2,55,78)(H2,56,79)(H2,57,84)(H,58,61)(H,59,81)(H,62,83)(H,66,80)(H,67,82)(H2,54,65,68)/t17?,18?,20?,21?,24?,25-,26?,30?,31?,32?,33+,34?,35-,36-,37-,47-,49-,50-,51+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C51H75N17O21S2
Molecular Weight	1326.373
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	9 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:53:48 GMT 2023` Edited by `admin` on `Sat Dec 16 10:53:48 GMT 2023`
Record UNII	BN3E7WJN9X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHLEOMYCIN

Common Name

English

NSC-61586

Code

English

NSC-616586

Code

English

Code System Code Type Description

EPA CompTox

DTXSID0031893