CLEOMYCIN B2

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C56H84N20O21S2
Molecular Weight	1437.518
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](NC(=O)[C@@H](NC(=O)C1=C(C)C(N)=NC(=N1)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]3O)C4=CN=CN4)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCCNC(N)=N)C7(O)CC7

InChI

InChIKey=HHZSNKZXZCTAOT-BEZFEASDSA-N

InChI=1S/C56H84N20O21S2/c1-20-32(73-45(76-43(20)59)24(12-30(58)79)68-13-23(57)44(60)85)48(88)74-33(39(25-14-64-19-69-25)95-53-41(37(83)35(81)28(15-77)94-53)96-52-38(84)40(97-55(63)91)36(82)29(16-78)93-52)49(89)70-22(3)34(80)21(2)46(86)75-42(56(92)7-8-56)50(90)66-11-6-31-71-27(18-98-31)51-72-26(17-99-51)47(87)65-9-4-5-10-67-54(61)62/h14,17-19,21-24,28-29,33-42,52-53,68,77-78,80-84,92H,4-13,15-16,57H2,1-3H3,(H2,58,79)(H2,60,85)(H2,63,91)(H,64,69)(H,65,87)(H,66,90)(H,70,89)(H,74,88)(H,75,86)(H2,59,73,76)(H4,61,62,67)/t21-,22+,23-,24-,28-,29+,33-,34-,35+,36+,37-,38-,39-,40-,41-,42+,52+,53-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C56H84N20O21S2
Molecular Weight	1437.518
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 `Mon Mar 31 21:07:58 GMT 2025` Edited by `admin` on `Mon Mar 31 21:07:58 GMT 2025`
Record UNII	AH0627T77D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BLEOMYCINAMIDE, N1-(4-((AMINOIMINOMETHYL)AMINO)BUTYL)-16-DE(1-HYDROXYETHYL)-16-(1-HYDROXYCYCLOPROPYL)-, (16S)-

Preferred Name

English

CLEOMYCIN B2

Common Name

English

Code System Code Type Description

FDA UNII

AH0627T77D

Created by admin on Mon Mar 31 21:07:58 GMT 2025 , Edited by admin on Mon Mar 31 21:07:58 GMT 2025

PRIMARY

CAS

76741-88-3

Created by admin on Mon Mar 31 21:07:58 GMT 2025 , Edited by admin on Mon Mar 31 21:07:58 GMT 2025

PRIMARY

PUBCHEM

90478831

Created by admin on Mon Mar 31 21:07:58 GMT 2025 , Edited by admin on Mon Mar 31 21:07:58 GMT 2025

PRIMARY

Related Record Type Details


					AH0627T77D

CLEOMYCIN B2

ACTIVE MOIETY