2-{[(2S)-1-amino-5-{[(1Z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid (Q27467716)

CHEMBL1910971 (English)

19 October 2016

chemical formula

C₁₅H₁₉ClN₄O₄

1 reference

CHEMBL1910971 (English)

19 October 2016

canonical SMILES

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

1 reference

CHEMBL1910971 (English)

19 October 2016

isomeric SMILES

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

1 reference

CHEMBL1910971 (English)

InChI=1S/C15H19ClN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)/t11-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL1910971 (English)

VUCFCRGOVAAFJN-NSHDSACASA-N

19 October 2016

InChIKey

1 reference

CHEMBL1910971 (English)

19 October 2016

1 reference

2-({(2S)-1-Amino-5-[(2-chloroethanimidoyl)amino]-1-oxo-2-pentanyl}carbamoyl)benzoic acid (English)

19 October 2016

2 references

CHEMBL1910971 (English)

matched by identifier from

19 October 2016

InChIKey

VUCFCRGOVAAFJN-NSHDSACASA-N

1 reference

CHEMBL1962360 (English)

19 October 2016

1 reference

0 references

1 reference

3B1T (English)