N-Alpha-(2-Naphthylsulfonyl)-N-(3-Amidino-L-Phenylalaninyl)-D-Pipecolinic Acid (Q27095061)

ZINC12504237 (English)

(2R)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-2-carboxylic acid

4 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₂₈N₄O₅S

1 reference

ZINC12504237 (English)

4 October 2016

canonical SMILES

C1CCN(C(C1)C(=O)O)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

1 reference

ZINC12504237 (English)

4 October 2016

isomeric SMILES

C1CCN([C@H](C1)C(=O)O)C(=O)[C@@H](CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

1 reference

ZINC12504237 (English)

InChI=1S/C26H28N4O5S/c27-24(28)20-9-5-6-17(14-20)15-22(25(31)30-13-4-3-10-23(30)26(32)33)29-36(34,35)21-12-11-18-7-1-2-8-19(18)16-21/h1-2,5-9,11-12,14,16,22-23,29H,3-4,10,13,15H2,(H3,27,28)(H,32,33)/t22-,23-/m1/s1

4 October 2016

Identifiers

InChI

1 reference

ZINC12504237 (English)

GNANSBQAIRJZPA-DHIUTWEWSA-N

4 October 2016

InChIKey

1 reference

ZINC12504237 (English)

4 October 2016

1 reference

(2R)-1-[3-Carbamimidoyl-N-(2-naphthylsulfonyl)-D-phenylalanyl]-2-piperidinecarboxylic acid (English)

4 October 2016

2 references

ZINC12504237 (English)