(2R)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-3-[[(E)-4-methoxy-4-oxidanylidene-but-2-enoyl]amino]propanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-3-[[(E)-4-methoxy-4-oxidanylidene-but-2-enoyl]amino]propanoic acid Openeye Name: (2R)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-3-[[(E)-4-methoxy-4-oxo-but-2-enoyl]amino]propanoic acid CAS Name: (2R)-2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-3-[[(E)-4-methoxy-1,4-dioxobut-2-enyl]amino]propanoic acid IUPAC Name: (2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoic acid Traditional Name: (2R)-2-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-3-[[(E)-4-keto-4-methoxy-but-2-enoyl]amino]propionic acid Formula: C13H21N3O6S MolecularWeight: 347.38734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)NCC(C(=O)O)NC(=O)C(CCSC)N

Isomeric SMILES

COC(=O)/C=C/C(=O)NC[C@H](C(=O)O)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C13H21N3O6S/c1-22-11(18)4-3-10(17)15-7-9(13(20)21)16-12(19)8(14)5-6-23-2/h3-4,8-9H,5-7,14H2,1-2H3,(H,15,17)(H,16,19)(H,20,21)/b4-3+/t8-,9+/m0/s1