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

Systemtic Name: 3-(3-aminophenyl)propanoyl-(4-aminophenyl)sulfonyl-[(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]-(2-methylpropyl)azanium Openeye Name: [(1S)-5-amino-1-carboxy-pentyl]-[3-(3-aminophenyl)propanoyl]-(4-aminophenyl)sulfonyl-isobutyl-ammonium CAS Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]-[3-(3-aminophenyl)-1-oxopropyl]-(4-aminophenyl)sulfonyl-(2-methylpropyl)ammonium IUPAC Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]-[3-(3-aminophenyl)propanoyl]-(4-aminophenyl)sulfonyl-(2-methylpropyl)azanium Traditional Name: [(1S)-5-amino-1-carboxy-pentyl]-[3-(3-aminophenyl)propanoyl]-isobutyl-sulfanilyl-ammonium Formula: C25H37N4O5S+ MolecularWeight: 505.65008

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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)N)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)N)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C25H36N4O5S/c1-18(2)17-29(23(25(31)32)8-3-4-15-26,35(33,34)22-12-10-20(27)11-13-22)24(30)14-9-19-6-5-7-21(28)16-19/h5-7,10-13,16,18,23H,3-4,8-9,14-15,17,26-28H2,1-2H3/p+1/t23-,29?/m0/s1