3-[[(1R,2R)-1-[[(1S)-3-carbamimidoyl-1-[(4-carbamimidoylphenyl)methylcarbamoyl]propyl]carbamoyl]-2-methyl-butyl]sulfamoylmethyl]benzoic acid
Molecular Formula:
C27H37N7O6S
InChI: InChI=1/C27H37N7O6S/c1-3-16(2)23(34-41(39,40)15-18-5-4-6-20(13-18)27(37)38)26(36)33-21(11-12-22(28)29)25(35)32-14-17-7-9-19(10-8-17)24(30)31/h4-10,13,16,21,23,34H,3,11-12,14-15H2,1-2H3,(H3,28,29)(H3,30,31)(H,32,35)(H,33,36)(H,37,38)/t16-,21+,23-/m1/s1/f/h28,30,32-33,37H,29,31H2/b28-22-,30-24-
InChIKey: InChIKey=UBGNMISWPGURDN-QYGXJTPADK
SMILES: CCC(C)C(C(=O)NC(CCC(=N)N)C(=O)NCC1=CC=C(C=C1)C(=N)N)NS(=O)(=O)CC2=CC=CC(=C2)C(=O)O
Names:
3CB
3-({1-[3-CARBAMIMIDOYL-1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-PROPYLCARBAMOYL]-2-METHYL-BUTYLSULFAMOYL
3-[[(1R,2R)-1-[[(1S)-3-carbamimidoyl-1-[(4-carbamimidoylphenyl)methylcarbamoyl]propyl]carbamoyl]-2-methyl-butyl]sulfamoylmethyl]benzoic acid
Registries:
PubChem CID 5326876
PubChem ID 8142622
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