(4-aminophenyl)sulfonyl-[(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]-(2-methylpropyl)-(3-phenylpropanoyl)azanium

Systemtic Name: (4-aminophenyl)sulfonyl-[(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]-(2-methylpropyl)-(3-phenylpropanoyl)azanium Openeye Name: [(1S)-5-amino-1-carboxy-pentyl]-(4-aminophenyl)sulfonyl-isobutyl-(3-phenylpropanoyl)ammonium CAS Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]-(4-aminophenyl)sulfonyl-(2-methylpropyl)-(1-oxo-3-phenylpropyl)ammonium IUPAC Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]-(4-aminophenyl)sulfonyl-(2-methylpropyl)-(3-phenylpropanoyl)azanium Traditional Name: [(1S)-5-amino-1-carboxy-pentyl]-hydrocinnamoyl-isobutyl-sulfanilyl-ammonium Formula: C25H36N3O5S+ MolecularWeight: 490.63544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+](C(CCCCN)C(=O)O)(C(=O)CCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CC(C)C[N+]([C@@H](CCCCN)C(=O)O)(C(=O)CCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C25H35N3O5S/c1-19(2)18-28(23(25(30)31)10-6-7-17-26,24(29)16-11-20-8-4-3-5-9-20)34(32,33)22-14-12-21(27)13-15-22/h3-5,8-9,12-15,19,23H,6-7,10-11,16-18,26-27H2,1-2H3/p+1/t23-,28?/m0/s1