{benzyl-[(S)-3-[((S)-1-carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-amino}-acetic acid (Q27457026)

CHEMBL341260 (English)

19 October 2016

chemical formula

C₃₀H₃₆N₆O₆S

1 reference

CHEMBL341260 (English)

19 October 2016

canonical SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)CC(C(=O)N(CC2=CC=CC=C2)CC(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

1 reference

CHEMBL341260 (English)

19 October 2016

isomeric SMILES

C1C[C@H](CN(C1)C(=N)N)CNC(=O)C[C@@H](C(=O)N(CC2=CC=CC=C2)CC(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

1 reference

CHEMBL341260 (English)

InChI=1S/C30H36N6O6S/c31-30(32)35-14-6-9-22(19-35)17-33-27(37)16-26(29(40)36(20-28(38)39)18-21-7-2-1-3-8-21)34-43(41,42)25-13-12-23-10-4-5-11-24(23)15-25/h1-5,7-8,10-13,15,22,26,34H,6,9,14,16-20H2,(H3,31,32)(H,33,37)(H,38,39)/t22-,26-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL341260 (English)

ZWJYDBRLGHLMKT-NVQXNPDNSA-N

19 October 2016

InChIKey

1 reference

CHEMBL341260 (English)

19 October 2016

1 reference

N-{[(3S)-1-Carbamimidoyl-3-piperidinyl]methyl}-N~2~-(2-naphthylsulfonyl)-L-asparaginyl-N-benzylglycine (English)

19 October 2016

1 reference

CHEMBL341260 (English)

19 October 2016

1 reference

CHEMBL341260 (English)

19 October 2016

1 reference

0 references

1 reference

4AYV (English)