ethyl (2S)-2-[2-azanylethanoyl-[(2S)-2-(aziridin-1-yl)propanoyl]amino]propanoate

Systemtic Name: ethyl (2S)-2-[2-azanylethanoyl-[(2S)-2-(aziridin-1-yl)propanoyl]amino]propanoate Openeye Name: ethyl (2S)-2-[(2-aminoacetyl)-[(2S)-2-(aziridin-1-yl)propanoyl]amino]propanoate CAS Name: (2S)-2-[(2-amino-1-oxoethyl)-[(2S)-2-(1-aziridinyl)-1-oxopropyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2-aminoacetyl)-[(2S)-2-(aziridin-1-yl)propanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-2-ethyleniminopropanoyl]-glycyl-amino]propionic acid ethyl ester Formula: C12H21N3O4 MolecularWeight: 271.31284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N(C(=O)CN)C(=O)C(C)N1CC1

Isomeric SMILES

CCOC(=O)[C@H](C)N(C(=O)CN)C(=O)[C@H](C)N1CC1

InChI

InChI=1S/C12H21N3O4/c1-4-19-12(18)9(3)15(10(16)7-13)11(17)8(2)14-5-6-14/h8-9H,4-7,13H2,1-3H3/t8-,9-/m0/s1