methyl (2S)-2-[[(2S)-2-azanyl-4-methyl-pentanethioyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanyl-4-methyl-pentanethioyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S)-2-amino-4-methyl-pentanethioyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-amino-4-methyl-1-sulfanylidenepentyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-amino-4-methylpentanethioyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-amino-4-methyl-pentanethioyl]amino]-4-methyl-valeric acid methyl ester Formula: C13H26N2O2S MolecularWeight: 274.42274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=S)NC(CC(C)C)C(=O)OC)N

Isomeric SMILES

CC(C)C[C@@H](C(=S)N[C@@H](CC(C)C)C(=O)OC)N

InChI

InChI=1S/C13H26N2O2S/c1-8(2)6-10(14)12(18)15-11(7-9(3)4)13(16)17-5/h8-11H,6-7,14H2,1-5H3,(H,15,18)/t10-,11-/m0/s1