(2S)-1-[2-[[(3S)-3-azanyl-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-[[(3S)-3-azanyl-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-[[(2S)-2-amino-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-[[(3S)-3-amino-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-[[(3S)-3-amino-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-[[(2S)-2-amino-1-carbethoxy-3-phenyl-propyl]amino]propanoyl]proline Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC1=CC=CC=C1)N)NC(C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CCOC(=O)C([C@H](CC1=CC=CC=C1)N)NC(C)C(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C20H29N3O5/c1-3-28-20(27)17(15(21)12-14-8-5-4-6-9-14)22-13(2)18(24)23-11-7-10-16(23)19(25)26/h4-6,8-9,13,15-17,22H,3,7,10-12,21H2,1-2H3,(H,25,26)/t13?,15-,16-,17?/m0/s1