(2S)-2-azanyl-5-oxidanylidene-5-[4-(2-oxidanyl-3-sulfo-propyl)piperazin-1-yl]pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-oxidanylidene-5-[4-(2-oxidanyl-3-sulfo-propyl)piperazin-1-yl]pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(2-hydroxy-3-sulfo-propyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-(2-hydroxy-3-sulfopropyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[4-(2-hydroxy-3-sulfo-propyl)piperazino]-5-keto-valeric acid Formula: C12H23N3O7S MolecularWeight: 353.39192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CS(=O)(=O)O)O)C(=O)CCC(C(=O)O)N

Isomeric SMILES

C1CN(CCN1CC(CS(=O)(=O)O)O)C(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C12H23N3O7S/c13-10(12(18)19)1-2-11(17)15-5-3-14(4-6-15)7-9(16)8-23(20,21)22/h9-10,16H,1-8,13H2,(H,18,19)(H,20,21,22)/t9?,10-/m0/s1