(2S)-4-azanyl-4-oxidanylidene-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]butanoic acid

Systemtic Name: (2S)-4-azanyl-4-oxidanylidene-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]butanoic acid Openeye Name: (2S)-4-amino-4-oxo-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]butanoic acid CAS Name: (2S)-4-amino-4-oxo-2-[[(2S)-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]-3-phenylpropyl]amino]butanoic acid IUPAC Name: (2S)-4-amino-4-oxo-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]butanoic acid Traditional Name: (2S)-4-amino-2-[[(2S)-2-(hydrocinnamoylamino)-3-phenyl-propanoyl]amino]-4-keto-butyric acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(=O)N)C(=O)O

InChI

InChI=1S/C22H25N3O5/c23-19(26)14-18(22(29)30)25-21(28)17(13-16-9-5-2-6-10-16)24-20(27)12-11-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H2,23,26)(H,24,27)(H,25,28)(H,29,30)/t17-,18-/m0/s1