bis(azanyl)methylidene-[4-[[(2S)-2-[[(2R,3R)-2,4-bis(oxidanyl)-4-oxidanylidene-3-sulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]butyl]azanium

Systemtic Name: bis(azanyl)methylidene-[4-[[(2S)-2-[[(2R,3R)-2,4-bis(oxidanyl)-4-oxidanylidene-3-sulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]butyl]azanium Openeye Name: diaminomethylene-[4-[[(2S)-2-[[(2R,3R)-2,4-dihydroxy-4-oxo-3-sulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]butyl]ammonium CAS Name: diaminomethylidene-[4-[[(2S)-2-[[(2R,3R)-2,4-dihydroxy-3-mercapto-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]butyl]ammonium IUPAC Name: diaminomethylidene-[4-[[(2S)-2-[[(2R,3R)-2,4-dihydroxy-4-oxo-3-sulfanylbutanoyl]amino]-4-methylpentanoyl]amino]butyl]azanium Traditional Name: diaminomethylene-[4-[[(2S)-2-[[(2R,3R)-2,4-dihydroxy-4-keto-3-mercapto-butanoyl]amino]-4-methyl-pentanoyl]amino]butyl]ammonium Formula: C15H30N5O5S+ MolecularWeight: 392.4942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCC[NH+]=C(N)N)NC(=O)C(C(C(=O)O)S)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCCC[NH+]=C(N)N)NC(=O)[C@H]([C@H](C(=O)O)S)O

InChI

InChI=1S/C15H29N5O5S/c1-8(2)7-9(20-13(23)10(21)11(26)14(24)25)12(22)18-5-3-4-6-19-15(16)17/h8-11,21,26H,3-7H2,1-2H3,(H,18,22)(H,20,23)(H,24,25)(H4,16,17,19)/p+1/t9-,10-,11+/m0/s1