3-[[(4S)-4-azanyl-5-oxidanylidene-5-(3-sulfopropylamino)pentanoyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[(4S)-4-azanyl-5-oxidanylidene-5-(3-sulfopropylamino)pentanoyl]amino]propane-1-sulfonic acid Openeye Name: 3-[[(4S)-4-amino-5-oxo-5-(3-sulfopropylamino)pentanoyl]amino]propane-1-sulfonic acid CAS Name: 3-[[(4S)-4-amino-1,5-dioxo-5-(3-sulfopropylamino)pentyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[(4S)-4-amino-5-oxo-5-(3-sulfopropylamino)pentanoyl]amino]propane-1-sulfonic acid Traditional Name: 3-[[(4S)-4-amino-5-keto-5-(3-sulfopropylamino)pentanoyl]amino]propane-1-sulfonic acid Formula: C11H23N3O8S2 MolecularWeight: 389.44562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CNC(=O)CCC(C(=O)NCCCS(=O)(=O)O)N)CS(=O)(=O)O

Isomeric SMILES

C(CNC(=O)CC[C@@H](C(=O)NCCCS(=O)(=O)O)N)CS(=O)(=O)O

InChI

InChI=1S/C11H23N3O8S2/c12-9(11(16)14-6-2-8-24(20,21)22)3-4-10(15)13-5-1-7-23(17,18)19/h9H,1-8,12H2,(H,13,15)(H,14,16)(H,17,18,19)(H,20,21,22)/t9-/m0/s1