PDB CCD ID: | A1AKZ | ||||||||||||
Number of entries in BioLiP: | 1 | ||||||||||||
Chemical formula: | C17 H17 N5 O5 S | ||||||||||||
InChI: | InChI=1S/C17H17N5O5S/c1-28(26,27)22-11-4-2-3-10(7-11)13(8-14(23)24)21-17(25)15-12-5-6-18-16(12)20-9-19-15/h2-7,9,13,22H,8H2,1H3,(H,21,25)(H,23,24)(H,18,19,20)/t13-/m0/s1 | ||||||||||||
InChIKey: | SSZRKFQGEKLBHY-ZDUSSCGKSA-N | ||||||||||||
SMILES: |
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Name: | (3S)-3-[3-(methanesulfonamido)phenyl]-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |