PALDIMYCIN B

Details

Stereochemistry	MIXED
Molecular Formula	C43H62N4O23S3
Molecular Weight	1099.16
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@](CSC(C)C(NC(=S)SC[C@H](NC(C)=O)C(O)=O)C(=O)O[C@@H]1[C@@H](COC(C)=O)O[C@]([H])([C@H](O)[C@@H]1O[C@H]2C[C@H](OC)[C@](O)([C@H](C)O2)[C@]([H])(C)OC(=O)C(C)C)[C@@]3(O)CC(=O)C(N)=C(C(O)=O)C3=O)(NC(C)=O)C(O)=O

InChI

InChIKey=VBFMBQWGGZGDKY-RNMOKUSESA-N

InChI=1S/C43H62N4O23S3/c1-15(2)39(60)67-18(5)43(63)17(4)66-27(10-26(43)64-9)69-33-31(52)35(42(62)11-24(51)29(44)28(34(42)53)38(58)59)68-25(12-65-21(8)50)32(33)70-40(61)30(16(3)72-13-22(36(54)55)45-19(6)48)47-41(71)73-14-23(37(56)57)46-20(7)49/h15-18,22-23,25-27,30-33,35,52,62-63H,10-14,44H2,1-9H3,(H,45,48)(H,46,49)(H,47,71)(H,54,55)(H,56,57)(H,58,59)/t16?,17-,18-,22-,23-,25+,26-,27-,30?,31+,32+,33-,35+,42+,43-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H62N4O23S3
Molecular Weight	1099.16
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	13 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:14:37 GMT 2023` Edited by `admin` on `Fri Dec 15 19:14:37 GMT 2023`
Record UNII	3N3B8RVK1J
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PALDIMYCIN B

Common Name

English

ANTIBIOTIC 273A1.BETA.

Common Name

English

Code System Code Type Description

CAS

101411-71-6

Created by admin on Fri Dec 15 19:14:37 GMT 2023 , Edited by admin on Fri Dec 15 19:14:37 GMT 2023

PRIMARY

FDA UNII

3N3B8RVK1J

Created by admin on Fri Dec 15 19:14:37 GMT 2023 , Edited by admin on Fri Dec 15 19:14:37 GMT 2023

PRIMARY

ChEMBL

CHEMBL2103892

Created by admin on Fri Dec 15 19:14:37 GMT 2023 , Edited by admin on Fri Dec 15 19:14:37 GMT 2023

PRIMARY

MESH

C052531

Created by admin on Fri Dec 15 19:14:37 GMT 2023 , Edited by admin on Fri Dec 15 19:14:37 GMT 2023

PRIMARY