(2S)-6-azaniumyl-2-[[(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanoyl]amino]hexanoate

Systemtic Name: (2S)-6-azaniumyl-2-[[(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanoyl]amino]hexanoate Openeye Name: (2S)-6-azaniumyl-2-[[(2S)-2-[[(E)-3-(2-furyl)prop-2-enoyl]amino]propanoyl]amino]hexanoate CAS Name: (2S)-6-ammonio-2-[[(2S)-2-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-1-oxopropyl]amino]hexanoate IUPAC Name: (2S)-6-azaniumyl-2-[[(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanoyl]amino]hexanoate Traditional Name: (2S)-6-ammonio-2-[[(2S)-2-[[(E)-3-(2-furyl)acryloyl]amino]propanoyl]amino]hexanoate Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCC[NH3+])C(=O)[O-])NC(=O)C=CC1=CC=CO1

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-])NC(=O)/C=C/C1=CC=CO1

InChI

InChI=1S/C16H23N3O5/c1-11(18-14(20)8-7-12-5-4-10-24-12)15(21)19-13(16(22)23)6-2-3-9-17/h4-5,7-8,10-11,13H,2-3,6,9,17H2,1H3,(H,18,20)(H,19,21)(H,22,23)/b8-7+/t11-,13-/m0/s1