[(2S)-2-azanyl-3-[[(E)-4-methoxy-4-oxidanylidene-but-2-enoyl]amino]propanoyl] (2S)-2-azanylpentanoate

Systemtic Name: [(2S)-2-azanyl-3-[[(E)-4-methoxy-4-oxidanylidene-but-2-enoyl]amino]propanoyl] (2S)-2-azanylpentanoate Openeye Name: [(2S)-2-amino-3-[[(E)-4-methoxy-4-oxo-but-2-enoyl]amino]propanoyl] (2S)-2-aminopentanoate CAS Name: (2S)-2-aminopentanoic acid [(2S)-2-amino-3-[[(E)-4-methoxy-1,4-dioxobut-2-enyl]amino]-1-oxopropyl] ester IUPAC Name: [(2S)-2-amino-3-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoyl] (2S)-2-aminopentanoate Traditional Name: (2S)-2-aminovaleric acid [(2S)-2-amino-3-[[(E)-4-keto-4-methoxy-but-2-enoyl]amino]propanoyl] ester Formula: C13H21N3O6 MolecularWeight: 315.32234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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