(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-3-methyl-N-[(4-sulfamoylphenyl)methyl]pentanamide

Systemtic Name: (2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-3-methyl-N-[(4-sulfamoylphenyl)methyl]pentanamide Openeye Name: (2S)-2-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-3-methyl-N-[(4-sulfamoylphenyl)methyl]pentanamide CAS Name: (2S)-2-[[(2R)-2-amino-3-mercaptopropyl]amino]-3-methyl-N-[(4-sulfamoylphenyl)methyl]pentanamide IUPAC Name: (2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methyl-N-[(4-sulfamoylphenyl)methyl]pentanamide Traditional Name: (2S)-2-[[(2R)-2-amino-3-mercapto-propyl]amino]-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)NCC(CS)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)NC[C@H](CS)N

InChI

InChI=1S/C16H28N4O3S2/c1-3-11(2)15(19-9-13(17)10-24)16(21)20-8-12-4-6-14(7-5-12)25(18,22)23/h4-7,11,13,15,19,24H,3,8-10,17H2,1-2H3,(H,20,21)(H2,18,22,23)/t11?,13-,15+/m1/s1