COVPDB

Ligand

Ligand Name: RWJ-51438
Ligand Type: peptide-like
Ligand ID: COVPDB99	PubChem: 11376816
Synonym(s): chembl403929 n-methyl-d-phenylalanyl-n-{(1s)-4-carbamimidamido-1-[(6-carboxy-1,3-benzothiazol-2-yl)carbonyl]butyl}-l-prolinamide 2-ketobenzothiazole 4 bdbm14129 q27452594 2-[(2s)-5-(diaminomethylideneamino)-2-[[(2s)-1-[(2r)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-benzothiazole-6-carboxylic acid 2-[(2s)-5-carbamimidamido-2-{[(2s)-1-[(2r)-2-(methylamino)-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}pentanoyl]-1,3-benzothiazole-6-carboxylic acid n-methyl-d-phenylalanyl-n-[(2s)-5-carbamimidamido-1-(6-carboxy-1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-l-prolinamide show 7 synonym(s)
DrugBank: -	ChEMBL: CHEMBL403929
Canonical SMILES: CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccc(cc2s1)C(O)=O
Standard InChI: InChI=1S/C29H35N7O5S/c1-32-21(15-17-7-3-2-4-8-17)27(39)36-14-6-10-22(36)25(38)34-20(9-5-13-33-29(30)31)24(37)26-35-19-12-11-18(28(40)41)16-23(19)42-26/h2-4,7-8,11-12,16,20-22,32H,5-6,9-10,13-15H2,1H3,(H,34,38)(H,40,41)(H4,30,31,33)/t20-,21+,22-/m0/s1
Molecular Formula: C29H35N7O5S	Mol. Weight: 593.24207	logP: 1.74697
HBD: 6	HBA: 8
#Rotatable Bonds: 13	TPSA: 190.6