(2R,3S)-2-azanyl-3-methyl-N-[(4-sulfamoylphenyl)methyl]-2-(3-sulfanylpropylamino)pentanamide

Systemtic Name: (2R,3S)-2-azanyl-3-methyl-N-[(4-sulfamoylphenyl)methyl]-2-(3-sulfanylpropylamino)pentanamide Openeye Name: (2R,3S)-2-amino-3-methyl-N-[(4-sulfamoylphenyl)methyl]-2-(3-sulfanylpropylamino)pentanamide CAS Name: (2R,3S)-2-amino-2-(3-mercaptopropylamino)-3-methyl-N-[(4-sulfamoylphenyl)methyl]pentanamide IUPAC Name: (2R,3S)-2-amino-3-methyl-N-[(4-sulfamoylphenyl)methyl]-2-(3-sulfanylpropylamino)pentanamide Traditional Name: (2R,3S)-2-amino-2-(3-mercaptopropylamino)-3-methyl-N-(4-sulfamoylbenzyl)valeramide Formula: C16H28N4O3S2 MolecularWeight: 388.54852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)(N)NCCCS

Isomeric SMILES

CC[C@H](C)[C@@](C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)(N)NCCCS

InChI

InChI=1S/C16H28N4O3S2/c1-3-12(2)16(17,20-9-4-10-24)15(21)19-11-13-5-7-14(8-6-13)25(18,22)23/h5-8,12,20,24H,3-4,9-11,17H2,1-2H3,(H,19,21)(H2,18,22,23)/t12-,16+/m0/s1