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10mM in Water for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets have been developed and issued under the Authority of the issuing Pharmacopoeia.For further information and support please go to the website of the issuing Pharmacopoeia.
| Canonical Smiles | C1CN=C(NC1C2C(=O)NCC(C(=O)NC(C(=O)NC(C(=O)NC(=CNC(=O)N)C(=O)N2)CNC(=O)C(CCCN)N)CO)N)N.OS(=O)(=O)O |
|---|---|
| IUPAC Name | (2S)-2,5-diamino-N-[[(2S,5S,8Z,11S,15S)-15-amino-11-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-8-[(carbamoylamino)methylidene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]pentanamide;sulfuric acid |
| InChIKey | LFFNIXQXRKNZCE-XYHGUWSSSA-N |
| INCHI | 1S/C24H42N14O8.H2O4S/c25-4-1-2-10(26)17(40)32-7-13-19(42)34-14(8-33-24(29)46)20(43)38-16(12-3-5-30-23(28)37-12)22(45)31-6-11(27)18(41)36-15(9-39)21(44)35-13;1-5(2,3)4/h8,10-13,15-16,39H,1-7,9,25-27H2,(H,31,45)(H,32,40)(H,34,42)(H,35,44)(H,36,41)(H,38,43)(H3,28,30,37)(H3,29,33,46);(H2,1,2,3,4)/b14-8-;/t10-,11-,12?,13-,15-,16-;/m0./s1 |
| Isomeric SMILES | C1CN=C(NC1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CNC(=O)[C@H](CCCN)N)CO)N)N.OS(=O)(=O)O |
| WGK Germany | 3 |
| RTECS | EX8930000 |
| PubChem CID | 22836615 |
| Molecular Weight | 750.78 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Peptides |
| Direct Parent | Oligopeptides |
| Alternative Parents | Cyclic peptides Macrolactams Alpha amino acid amides Beta amino acids and derivatives Organic sulfuric acids N-acyl amines Hydropyrimidines Vinylogous amides Secondary carboxylic acid amides Ureas Guanidines Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Primary alcohols Carbonyl compounds Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Alpha-oligopeptide - Cyclic alpha peptide - Macrolactam - Alpha-amino acid amide - Beta amino acid or derivatives - Alpha-amino acid or derivatives - Sulfuric acid - Fatty amide - Fatty acyl - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - N-acyl-amine - Vinylogous amide - Organic sulfuric acid or derivatives - Urea - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Guanidine - Lactam - Azacycle - Organoheterocyclic compound - Carboximidamide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Primary alcohol - Primary amine - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Primary aliphatic amine - Amine - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. |
| External Descriptors | Not available |
| Boil Point(°C) | 1377℃ |
|---|---|
| Molecular Weight | 752.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 16 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 9 |
| Exact Mass | 752.298 Da |
| Monoisotopic Mass | 752.298 Da |
| Topological Polar Surface Area | 461.000 Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 1310.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 2 |