(Q106902942)

English

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

233.0899372 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

Boc-D-Aspartic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₉H₁₅NO₆

1 reference

19 May 2021

canonical SMILES

CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)O

1 reference

19 May 2021

isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)O

1 reference

19 May 2021

117 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

Identifiers

InChI=1S/C9H15NO6/c1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)/t5-/m0/s1

1 reference

19 May 2021

KAJBMCZQVSQJDE-YFKPBYRVSA-N

1 reference

19 May 2021

CAS Registry Number

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

19 May 2021

matched by identifier from

KAJBMCZQVSQJDE-YFKPBYRVSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C9H15NO6/c1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)/t5-/m0/s1

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

KAJBMCZQVSQJDE-YFKPBYRVSA-N

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID301286262

1 reference

matched by identifier from

KAJBMCZQVSQJDE-YFKPBYRVSA-N

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