2-[[2-[[2-azanyl-3-[[(E)-4-methoxy-4-oxidanylidene-but-2-enoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-[[2-azanyl-3-[[(E)-4-methoxy-4-oxidanylidene-but-2-enoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[[2-amino-3-[[(E)-4-methoxy-4-oxo-but-2-enoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-amino-3-[[(E)-4-methoxy-1,4-dioxobut-2-enyl]amino]-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[[2-amino-3-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[[2-amino-3-[[(E)-4-keto-4-methoxy-but-2-enoyl]amino]propanoyl]amino]-4-(methylthio)butanoyl]amino]-4-(methylthio)butyric acid Formula: C18H30N4O7S2 MolecularWeight: 478.5834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O7S2/c1-29-15(24)5-4-14(23)20-10-11(19)16(25)21-12(6-8-30-2)17(26)22-13(18(27)28)7-9-31-3/h4-5,11-13H,6-10,19H2,1-3H3,(H,20,23)(H,21,25)(H,22,26)(H,27,28)/b5-4+