(2S)-2-amino-N-[(2S)-1-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]propanamide (Q27165319)

Ala-Ala-Phe-CMK (English)

9 October 2016

chemical formula

C₁₆H₂₂ClN₃O₃

1 reference

Ala-Ala-Phe-CMK (English)

9 October 2016

canonical SMILES

CC(C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)CCl)N

1 reference

Ala-Ala-Phe-CMK (English)

9 October 2016

isomeric SMILES

C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)CCl)N

1 reference

Ala-Ala-Phe-CMK (English)

InChI=1S/C16H22ClN3O3/c1-10(18)15(22)19-11(2)16(23)20-13(14(21)9-17)8-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,18H2,1-2H3,(H,19,22)(H,20,23)/t10-,11-,13-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

Ala-Ala-Phe-CMK (English)

ONICONPPGVXITG-GVXVVHGQSA-N

9 October 2016

InChIKey

2 references

Ala-Ala-Phe-CMK (English)

CAS (formerly Chemical Abstracts Service)

9 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

102129-66-8

1 reference

stated in

25 January 2022

1 reference

L-Alanyl-N-[(2S)-4-chloro-3-oxo-1-phenyl-2-butanyl]-L-alaninamide (English)

9 October 2016

2 references

Ala-Ala-Phe-CMK (English)

matched by identifier from

9 October 2016

InChIKey

ONICONPPGVXITG-GVXVVHGQSA-N

ChEBI ID

93628

mapping relation type

2 references

(2S)-2-amino-N-[(2S)-1-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]propanamide (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C16H22ClN3O3/c1-10(18)15(22)19-11(2)16(23)20-13(14(21)9-17)8-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,18H2,1-2H3,(H,19,22)(H,20,23)/t10-,11-,13-/m0/s1

1 reference