(2S)-5-azanyl-5-oxidanylidene-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]pentanoic acid

Systemtic Name: (2S)-5-azanyl-5-oxidanylidene-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]pentanoic acid Openeye Name: (2S)-5-amino-5-oxo-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]pentanoic acid CAS Name: (2S)-5-amino-5-oxo-2-[[(2S)-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]-3-phenylpropyl]amino]pentanoic acid IUPAC Name: (2S)-5-amino-5-oxo-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]pentanoic acid Traditional Name: (2S)-5-amino-2-[[(2S)-2-(hydrocinnamoylamino)-3-phenyl-propanoyl]amino]-5-keto-valeric acid Formula: C23H27N3O5 MolecularWeight: 425.47758

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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(CCC(=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](CCC(=O)N)C(=O)O

InChI

InChI=1S/C23H27N3O5/c24-20(27)13-12-18(23(30)31)26-22(29)19(15-17-9-5-2-6-10-17)25-21(28)14-11-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H2,24,27)(H,25,28)(H,26,29)(H,30,31)/t18-,19-/m0/s1