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Molecule record

(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid

C23H36N6O5S

508.64 g/mol

Loading structure

Molecular properties

Formula
C23H36N6O5S
Molar mass
508.64 g·mol−1
Exact mass
508.2468 Da
9
PubChem CID
92722

Functional groups

Alkane / alkyl carbon
Amide
Aromatic ring
Carboxylic acid
Primary amine
Secondary amine
Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 74863-84-6
  • ARGATROBAN IN DEXTROSE
  • Acova
  • Argatroban In Sodium Chloride
  • Argatroban anhydrous
  • Argatrobanum
  • Argatrobanum [Latin]
  • Argipidine
Show all 24 synonyms
  • B01AE03
  • CHEBI:48720
  • DK-7419
  • DTXCID901508458
  • DTXSID7046467
  • GN-1600
  • GN1600
  • MCI-9038
  • MD-805
  • MD805
  • MMTQAP
  • MPQA
  • Novastan
  • OCY3U280Y3
  • RefChem:559934
  • argatroban

Structure identifiers

Canonical SMILES
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1
Isomeric SMILES
C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C
InChI
InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1
InChIKey
KXNPVXPOPUZYGB-IOVMHBDKSA-N
PubChem CID
92722

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record
(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrah… - Formula, Structure | ChemArche