(2S)-3-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butoxy)carbonyl]amino}propanoic acid - ≥97% , CAS No.65710-57-8

CAS: 65710-57-8 Cat. No.: S177079 Peso molecular: 338.36 PubChem CID: 2755950

GRADE & PURITY ≥97%

Synonyms

(S)-2-[(tert-Butoxycarbonyl)amino]-3-(benzyloxycarbonylamino)propionic acid | HY-W003499 | N3-Z-(2S)-N2-Boc-2,3-diaminopropionic acid | Boc-Dap(Cbz)-OH | boc-n3-cbz-l-2,3-diaminopropanoic acid | (2S)-3-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butoxy)carbony

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(S)-2-[(tert-Butoxycarbonyl)amino]-3-(benzyloxycarbonylamino)propionic acid | HY-W003499 | N3-Z-(2S)-N2-Boc-2, 3-diaminopropionic acid | Boc-Dap(Cbz)-OH | boc-n3-cbz-l-2, 3-diaminopropanoic acid | (2S)-3-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butoxy)carbony

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NC(CNC(=O)OCC1=CC=CC=C1)C(=O)O
• IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid
• InChIKey: QKMSMVGTLTVHLK-LBPRGKRZSA-N
• INCHI: 1S/C16H22N2O6/c1-16(2,3)24-15(22)18-12(13(19)20)9-17-14(21)23-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t12-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@@H](CNC(=O)OCC1=CC=CC=C1)C(=O)O
• PubChem CID: 2755950
• Peso molecular: 338.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Alpha amino acids and derivatives Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Benzyloxycarbonyl - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 338.360 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 338.148 Da
• Monoisotopic Mass: 338.148 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 440.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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