≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Desiccated,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.
| Canonical Smiles | C[C@@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)N1)C(=O)O)C(=O)O)CC2=CC=CC=C2)C)CCCN=C(N)NC(=O)NC |
|---|---|
| IUPAC Name | (2R,5S,8S,11S,15S)-5-[3-[[amino-(methylcarbamoylamino)methylidene]amino]propyl]-8-benzyl-2,7-dimethyl-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentazacycloheptadecane-11,15-dicarboxylic acid |
| InChIKey | UHBHXSDKGLPPGO-HTDHLNIYSA-N |
| INCHI | 1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1 |
| Molecular Weight | 675.700 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 | Macrolactams Alpha amino acids and derivatives Benzene and substituted derivatives Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Ureas Secondary carboxylic acid amides Lactams Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Carboximidamides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-oligopeptide - Macrolactam - Alpha-amino acid or derivatives - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Guanidine - Lactam - Carbonic acid derivative - Secondary carboxylic acid amide - Urea - Carboxylic acid - Carboximidamide - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organopnictogen compound - Aromatic 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 |
| Molecular Weight | 675.700 g/mol |
|---|---|
| XLogP3 | -1.900 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 9 |
| Exact Mass | 675.298 Da |
| Monoisotopic Mass | 675.298 Da |
| Topological Polar Surface Area | 291.000 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 1250.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
