4-azaniumyl-5-[[3-(1H-indol-3-ylmethylsulfanyl)-1-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 4-azaniumyl-5-[[3-(1H-indol-3-ylmethylsulfanyl)-1-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 4-azaniumyl-5-[[1-(1H-indol-3-ylmethylsulfanylmethyl)-2-[(2-oxido-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: 4-ammonio-5-[[3-(1H-indol-3-ylmethylthio)-1-[(2-oxido-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate IUPAC Name: 4-azaniumyl-5-[[3-(1H-indol-3-ylmethylsulfanyl)-1-[(2-oxido-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate Traditional Name: 4-ammonio-5-[[1-[(1H-indol-3-ylmethylthio)methyl]-2-keto-2-[(2-keto-2-oxido-ethyl)amino]ethyl]amino]-5-keto-valerate Formula: C19H23N4O6S- MolecularWeight: 435.47412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CSCC(C(=O)NCC(=O)[O-])NC(=O)C(CCC(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CSCC(C(=O)NCC(=O)[O-])NC(=O)C(CCC(=O)[O-])[NH3+]

InChI

InChI=1S/C19H24N4O6S/c20-13(5-6-16(24)25)18(28)23-15(19(29)22-8-17(26)27)10-30-9-11-7-21-14-4-2-1-3-12(11)14/h1-4,7,13,15,21H,5-6,8-10,20H2,(H,22,29)(H,23,28)(H,24,25)(H,26,27)/p-1