ethyl (2S,3S)-3-[[(2S)-1-(4-azanylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: ethyl (2S,3S)-3-[[(2S)-1-(4-azanylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: ethyl (2S,3S)-3-[[(1S)-2-(4-aminobutylamino)-1-benzyl-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylate CAS Name: (2S,3S)-3-[[[(2S)-1-(4-aminobutylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-[[(2S)-1-(4-aminobutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: (2S,3S)-3-[[(1S)-2-(4-aminobutylamino)-1-benzyl-2-keto-ethyl]carbamoyl]oxirane-2-carboxylic acid ethyl ester Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(O1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCCN

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCCCN

InChI

InChI=1S/C19H27N3O5/c1-2-26-19(25)16-15(27-16)18(24)22-14(12-13-8-4-3-5-9-13)17(23)21-11-7-6-10-20/h3-5,8-9,14-16H,2,6-7,10-12,20H2,1H3,(H,21,23)(H,22,24)/t14-,15-,16-/m0/s1