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

Systemtic Name: (2R)-2-[[(2S)-2-azanylpentanoyl]amino]-3-[[(E)-4-methoxy-4-oxidanylidene-but-2-enoyl]amino]propanoic acid Openeye Name: (2R)-2-[[(2S)-2-aminopentanoyl]amino]-3-[[(E)-4-methoxy-4-oxo-but-2-enoyl]amino]propanoic acid CAS Name: (2R)-2-[[(2S)-2-amino-1-oxopentyl]amino]-3-[[(E)-4-methoxy-1,4-dioxobut-2-enyl]amino]propanoic acid IUPAC Name: (2R)-2-[[(2S)-2-aminopentanoyl]amino]-3-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoic acid Traditional Name: (2R)-2-[[(2S)-2-aminopentanoyl]amino]-3-[[(E)-4-keto-4-methoxy-but-2-enoyl]amino]propionic acid Formula: C13H21N3O6 MolecularWeight: 315.32234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O6/c1-3-4-8(14)12(19)16-9(13(20)21)7-15-10(17)5-6-11(18)22-2/h5-6,8-9H,3-4,7,14H2,1-2H3,(H,15,17)(H,16,19)(H,20,21)/b6-5+/t8-,9+/m0/s1