ethyl (2S)-2-[[[(3S,5R)-3-azanyl-5-methyl-2-oxidanylidene-pyrrolidin-1-yl]-ethanoyl-amino]methyl]but-3-ynoate

Systemtic Name: ethyl (2S)-2-[[[(3S,5R)-3-azanyl-5-methyl-2-oxidanylidene-pyrrolidin-1-yl]-ethanoyl-amino]methyl]but-3-ynoate Openeye Name: ethyl (2S)-2-[[acetyl-[(3S,5R)-3-amino-5-methyl-2-oxo-pyrrolidin-1-yl]amino]methyl]but-3-ynoate CAS Name: (2S)-2-[[acetyl-[(3S,5R)-3-amino-5-methyl-2-oxo-1-pyrrolidinyl]amino]methyl]-3-butynoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[acetyl-[(3S,5R)-3-amino-5-methyl-2-oxopyrrolidin-1-yl]amino]methyl]but-3-ynoate Traditional Name: (2S)-2-[[acetyl-[(3S,5R)-3-amino-2-keto-5-methyl-pyrrolidino]amino]methyl]but-3-ynoic acid ethyl ester Formula: C14H21N3O4 MolecularWeight: 295.33424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CN(C(=O)C)N1C(CC(C1=O)N)C)C#C

Isomeric SMILES

CCOC(=O)[C@H](CN(C(=O)C)N1[C@@H](C[C@@H](C1=O)N)C)C#C

InChI

InChI=1S/C14H21N3O4/c1-5-11(14(20)21-6-2)8-16(10(4)18)17-9(3)7-12(15)13(17)19/h1,9,11-12H,6-8,15H2,2-4H3/t9-,11+,12+/m1/s1