BERNINAMYCIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C51H51N15O15S
Molecular Weight	1146.107
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C\C=C1/NC(=O)[C@@H](NC(=O)C2=CSC(=N2)C3=CC=C(N=C3C4=COC(=N4)C(=C)NC(=O)C(=C)NC(=O)C5=C(C)OC(=N5)C(=C)NC(=O)[C@@H](NC(=O)C(=C)NC(=O)C6=C(C)OC1=N6)C(C)(C)O)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)[C@@H](C)O

InChI

InChIKey=CAFFHXXVDGAVPH-DKFXDEMXSA-N

InChI=1S/C51H51N15O15S/c1-13-28-49-65-34(26(10)81-49)45(76)56-21(5)40(71)66-36(51(11,12)78)46(77)58-23(7)48-64-33(25(9)80-48)44(75)55-20(4)39(70)57-22(6)47-61-30(16-79-47)35-27(50-62-31(17-82-50)42(73)63-32(24(8)67)43(74)60-28)14-15-29(59-35)41(72)54-19(3)38(69)53-18(2)37(52)68/h13-17,24,32,36,67,78H,2-7H2,1,8-12H3,(H2,52,68)(H,53,69)(H,54,72)(H,55,75)(H,56,76)(H,57,70)(H,58,77)(H,60,74)(H,63,73)(H,66,71)/b28-13-/t24-,32+,36-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C51H51N15O15S
Molecular Weight	1146.107
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:35:30 GMT 2025` Edited by `admin` on `Mon Mar 31 22:35:30 GMT 2025`
Record UNII	M2B3X4HA2W
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BERNINAMYCIN A

Common Name

English

BERNINAMYCIN [MI]

Preferred Name

English

THREONYL-2-(1-AMINO-1-PROPEN-1-YL)-5-METHYL-4-OXAZOLECARBONYL-2,3-DIDEHYDROALANYL-3-METHYLTHREONYL-2-(1-AMINOETHENYL)-5-METHYL-4-OXAZOLECARBONYL-2,3-DIDEHYDROALANYL-6-(2-(1-AMINOETHENYL)-4-OXAZOLYL)-5-(4-CARBOXY-2-THIAZOLYL)-2-PYRIDINECARBONYL-2,3-DIDEHY

Systematic Name

English

ALANINAMIDE, L-THREONYL-2-((1Z)-1-AMINO-1-PROPEN-1-YL)-5-METHYL-4-OXAZOLECARBONYL-2,3-DIDEHYDROALANYL-3-METHYL-L-THREONYL-2-(1-AMINOETHENYL)-5-METHYL-4-OXAZOLECARBONYL-2,3-DIDEHYDROALANYL-6-(2-(1-AMINOETHENYL)-4-OXAZOLYL)-5-(4-CARBOXY-2-THIAZOLYL)-2-PYRI

Systematic Name

English

Code System Code Type Description

CAS

58798-97-3

Created by admin on Mon Mar 31 22:35:30 GMT 2025 , Edited by admin on Mon Mar 31 22:35:30 GMT 2025

PRIMARY

PUBCHEM

91617669

Created by admin on Mon Mar 31 22:35:30 GMT 2025 , Edited by admin on Mon Mar 31 22:35:30 GMT 2025

PRIMARY

MERCK INDEX

m2432

Created by admin on Mon Mar 31 22:35:30 GMT 2025 , Edited by admin on Mon Mar 31 22:35:30 GMT 2025

PRIMARY

Merck Index

FDA UNII

M2B3X4HA2W

Created by admin on Mon Mar 31 22:35:30 GMT 2025 , Edited by admin on Mon Mar 31 22:35:30 GMT 2025

PRIMARY

Related Record Type Details


					M2B3X4HA2W

BERNINAMYCIN A

ACTIVE MOIETY