(2R,4R)-1-[(2S)-5-carbamimidamido-2-(3-methylquinoline-8-sulfonamido)pentanoyl]-4-methylpiperidine-2-carboxylic acid

CAS: 951130-92-0

Formula: C23H32N6O5S

SMILES: C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C12

IUPAC: (2R,4R)-1-[(2S)-5-carbamimidamido-2-(3-methylquinoline-8-sulfonamido)pentanoyl]-4-methylpiperidine-2-carboxylic acid

InChI: InChI=1S/C23H32N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,11,13-14,17-18,28H,4,6,8-10,12H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,17+,18-/m1/s1

Composition: C (54.75%), H (6.39%), N (16.65%), O (15.85%), S (6.35%)

Molar Mass: 504.61

Atom Count: 67

Heavy Atom Count: 35