Chemical identity

Bacitracin B1

CAS 57762-79-5 · C65H101N17O16S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-07593
PubChem CID73415843
NameBacitracin B1
CAS RN57762-79-5
Molecular formulaC65H101N17O16S
Molecular weight1408.66 g/mol
IUPAC name(R)-5-(((2S,3S)-1-(((3S,6R,9S,12R,15S,18R,21S)-9-((1H-imidazol-5-yl) methyl)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-6-(carboxymethyl)-15-isopropyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13, 16,19-heptaazacyclopentacosan-21-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-4-((S)-2-((R)-2-((1S,2S)-1-amino-2-methylbutyl)-4,5-dihydrothiazole-4-carboxamido)-4-methylpentanamido)-5-oxopentanoic acid
InChIKeyCDTJNKFURPZXMS-QTFUODODSA-N

02Structure identifiers

2D structurePubChem CID 73415843
Two-dimensional chemical structure of Bacitracin B1, CAS 57762-79-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 14 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres14
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC[C@H](C)[C@@H](C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]2CCCCNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC2=O)CCCN)C(C)C)CC3=CC=CC=C3)CC4=CN=CN4)CC(=O)O)CC(=O)N)N
InChINot listed
Formula from structureC65H101N17O16S
Molecular weight from structure1408.66 g/mol

03Stereochemistry

The published structure contains 14 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres14Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16,384Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 57762-79-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 57762-79-5 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Bacitracin

View API and impurity family

Other names

No synonyms are listed.

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources