Determine the necessary mass, volume, or concentration for preparing a solution.
≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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.
| Sonrisas canónicas | CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NC(=O)CNC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)CNC(=O)C2CCCN2C(=O)C3CCCN3C(=O)C4CCCN4C(=O)C(CCC(=O)O)NC(=O)CN |
|---|---|
| IUPAC Name | (4S)-4-[(2-aminoacetyl)amino]-5-[(2S)-2-[(2S)-2-[(2S)-2-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(2S)-1-[[2-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-oxopentanoic acid |
| InChIKey | HEEWEZGQMLZMFE-RKGINYAYSA-N |
| INCHI | 1S/C62H98N16O22/c1-31(2)25-37(55(92)74-50(32(3)4)62(99)100)71-46(81)29-65-51(88)33(5)67-53(90)38(26-48(84)85)73-54(91)39(27-49(86)87)72-52(89)34(6)68-57(94)41-15-10-21-75(41)58(95)35(13-7-8-20-63)70-45(80)30-66-56(93)40-14-9-22-76(40)60(97)43-17-12-24-78(43)61(98)42-16-11-23-77(42)59(96)36(18-19-47(82)83)69-44(79)28-64/h31-43,50H,7-30,63-64H2,1-6H3,(H,65,88)(H,66,93)(H,67,90)(H,68,94)(H,69,79)(H,70,80)(H,71,81)(H,72,89)(H,73,91)(H,74,92)(H,82,83)(H,84,85)(H,86,87)(H,99,100)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,50-/m0/s1 |
| Isómeros SMILES | C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)CN |
| PubChem CID | 9941957 |
| Peso molecular | 1419.54 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic Polymers |
| Clase | Polypeptides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Polypeptides |
| Alternative Parents | Peptides Aspartic acid and derivatives Leucine and derivatives Valine and derivatives Tetracarboxylic acids and derivatives Proline and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Alanine and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines N-acyl amines Tertiary carboxylic acid amides Amino acids Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Monoalkylamines |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Polypeptide - Alpha peptide - Leucine or derivatives - Aspartic acid or derivatives - Valine or derivatives - Proline or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Tetracarboxylic acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Fatty acyl - Fatty amide - N-acyl-amine - Pyrrolidine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Primary amine - Amine - Primary aliphatic amine - Organonitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. |
| External Descriptors | Not available |
| Peso molecular | 1419.500 g/mol |
|---|---|
| XLogP3 | -9.000 |
| Hydrogen Bond Donor Count | 16 |
| Hydrogen Bond Acceptor Count | 24 |
| Rotatable Bond Count | 39 |
| Exact Mass | 1418.7 Da |
| Monoisotopic Mass | 1418.7 Da |
| Topological Polar Surface Area | 573.000 Ų |
| Heavy Atom Count | 100 |
| Formal Charge | 0 |
| Complexity | 3040.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 12 |
| 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 |