2-[[(2S)-2-azanylpentanoyl]amino]-3-[[(E)-4-oxidanylidenehex-2-enoyl]amino]propanoic acid

Systemtic Name: 2-[[(2S)-2-azanylpentanoyl]amino]-3-[[(E)-4-oxidanylidenehex-2-enoyl]amino]propanoic acid Openeye Name: 2-[[(2S)-2-aminopentanoyl]amino]-3-[[(E)-4-oxohex-2-enoyl]amino]propanoic acid CAS Name: 2-[[(2S)-2-amino-1-oxopentyl]amino]-3-[[(E)-1,4-dioxohex-2-enyl]amino]propanoic acid IUPAC Name: 2-[[(2S)-2-aminopentanoyl]amino]-3-[[(E)-4-oxohex-2-enoyl]amino]propanoic acid Traditional Name: 2-[[(2S)-2-aminopentanoyl]amino]-3-[[(E)-4-ketohex-2-enoyl]amino]propionic acid Formula: C14H23N3O5 MolecularWeight: 313.34952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CNC(=O)C=CC(=O)CC)C(=O)O)N

Isomeric SMILES

CCC[C@@H](C(=O)NC(CNC(=O)/C=C/C(=O)CC)C(=O)O)N

InChI

InChI=1S/C14H23N3O5/c1-3-5-10(15)13(20)17-11(14(21)22)8-16-12(19)7-6-9(18)4-2/h6-7,10-11H,3-5,8,15H2,1-2H3,(H,16,19)(H,17,20)(H,21,22)/b7-6+/t10-,11?/m0/s1