AntibioticMech

benthiavalicarb

CHEBI:83601 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A carboxamide resulting from the formal condensation of the carboxy group of L-valine with (1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethylamine and replacement of one of the hydrogens attached to the α-amino group by a carboxy group. It is the active form of the fungicide benthiavalicarb isopropyl (in which the carbamic acid group has been converted to the corresponding isopropyl ester). — ChEBI

Classification

Strictly broader compounds or drug classes this molecule belongs to.

• CHEBI:27267 CHEBI:27267
• CHEBI:37143 CHEBI:37143
• CHEBI:37622 CHEBI:37622
• CHEBI:37947 CHEBI:37947
• CHEBI:87029 CHEBI:87029
• CHEBI:87038 CHEBI:87038

Chemical structure

Computed structure properties

Molecular formula	C15H18FN3O3S
Charge	0
Average mass	339.392 Da
Monoisotopic mass	339.10529 Da
Source	ChEBI
InChIKey	VVSLYIKSEBPRSN-PELKAZGASA-N

SMILES

CC(C)[C@H](NC(=O)O)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1

InChI

InChI=1S/C15H18FN3O3S/c1-7(2)12(19-15(21)22)13(20)17-8(3)14-18-10-5-4-9(16)6-11(10)23-14/h4-8,12,19H,1-3H3,(H,17,20)(H,21,22)/t8-,12+/m1/s1

Also called

• [(2S)-1-{[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino}-3-methyl-1-oxobutan-2-yl]carbamic acid (EXACT_SYNONYM)— chebi
• N-[(1S)-1-[[[(1R)-1-(6-fluoro-2-benzothiazolyl)ethyl]amino]carbonyl]-2-methylpropyl]carbamic acid (EXACT_SYNONYM)— chebi
• [(1S)-1-{[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]carbamoyl}-2-methylpropyl]carbamic acid (EXACT_SYNONYM)— chebi
• benthiavalicarbe (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

• cas:413615-35-7
• pesticides:benthiavalicarb
• reaxys:11327530

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

• CHEBI:24127 CHEBI:24127
• CHEBI:35718 CHEBI:35718
• CHEBI:86328 CHEBI:86328

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record

Source	Native ID	Label	Minted CURIE	Version
CHEBI	CHEBI:83601	benthiavalicarb	antibioticmech:chebi-d6fb1c94a1	2026-08-30

Curation history

1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Seeded from data/raw/ inventories (CHEBI)

2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

3. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.