(Q27125875)

(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate (English)

6 October 2016

chemical formula

C₁₄H₁₈NO₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)CC(C(=O)[O-])NC(=O)OCC1=CC=CC=C1

1 reference

(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate (English)

6 October 2016

isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)OCC1=CC=CC=C1

1 reference

(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate (English)

InChI=1S/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/p-1/t12-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate (English)

USPFMEKVPDBMCG-LBPRGKRZSA-M

6 October 2016

InChIKey

2 references

(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S)-2-{[(Benzyloxy)carbonyl]amino}-4-methylpentanoate (English)

6 October 2016

1 reference

(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate (English)

6 October 2016

Reaxys registry number

6132572

1 reference

N-benzyloxycarbonyl-L-leucinate (English)

6 October 2016

ChEBI ID

58558

mapping relation type

1 reference