3-[[(2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[(2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[(2S)-1-[(3R)-3-amino-1-oxo-4-phenylbutyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[(2S)-1-[(3R)-3-amino-4-phenylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]prolyl]amino]propionic acid Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(CC2=CC=CC=C2)N)C(=O)NCCC(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C[C@@H](CC2=CC=CC=C2)N)C(=O)NCCC(=O)O

InChI

InChI=1S/C18H25N3O4/c19-14(11-13-5-2-1-3-6-13)12-16(22)21-10-4-7-15(21)18(25)20-9-8-17(23)24/h1-3,5-6,14-15H,4,7-12,19H2,(H,20,25)(H,23,24)/t14-,15+/m1/s1