CLEOMYCIN A2

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C56H83N17O21S3
Molecular Weight	1426.555
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]7(O[C@@H]1[C@H](O[C@H]([C@H](NC(=O)C2=NC(=NC(N)=C2C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCC3=NC(=CS3)C4=NC(=CS4)C(=O)NCCC[S+](C)C)C5(O)CC5)C6=CN=C[N-]6)O[C@@H](CO)[C@@H](O)[C@@H]1O)O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]7O

InChI

InChIKey=HQJMSUKHQDRRSI-WHLMJTQYSA-N

InChI=1S/C56H83N17O21S3/c1-21-33(70-46(73-44(21)59)25(13-31(58)76)65-14-24(57)45(60)82)49(85)71-34(40(26-15-62-20-66-26)92-54-42(38(80)36(78)29(16-74)91-54)93-53-39(81)41(94-55(61)88)37(79)30(17-75)90-53)50(86)67-23(3)35(77)22(2)47(83)72-43(56(89)8-9-56)51(87)64-11-7-32-68-28(19-95-32)52-69-27(18-96-52)48(84)63-10-6-12-97(4)5/h15,18-20,22-25,29-30,34-43,53-54,65,74-75,77-81,89H,6-14,16-17,57H2,1-5H3,(H13-,58,59,60,61,62,63,64,66,67,70,71,72,73,76,82,83,84,85,86,87,88)/t22-,23+,24-,25-,29-,30+,34-,35-,36+,37+,38-,39-,40-,41-,42-,43+,53+,54-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C56H83N17O21S3
Molecular Weight	1426.555
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	18 / 18
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:58:55 GMT 2023` Edited by `admin` on `Sat Dec 16 10:58:55 GMT 2023`
Record UNII	V034SY3Y5Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CLEOMYCIN A2

Common Name

English

BLEOMYCINAMIDE, 16-DE(1-HYDROXYETHYL)-N1-(3-(DIMETHYLSULFONIO)PROPYL)-16-(1-HYDROXYCYCLOPROPYL)-

Common Name

English

Code System Code Type Description

CAS

754137-61-6

Created by admin on Sat Dec 16 10:58:55 GMT 2023 , Edited by admin on Sat Dec 16 10:58:55 GMT 2023

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PUBCHEM

90478832

Created by admin on Sat Dec 16 10:58:55 GMT 2023 , Edited by admin on Sat Dec 16 10:58:55 GMT 2023

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FDA UNII

V034SY3Y5Y

Created by admin on Sat Dec 16 10:58:55 GMT 2023 , Edited by admin on Sat Dec 16 10:58:55 GMT 2023

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