(2S)-2-[[1-[(2S)-2-azanyl-3-phenyl-propanoyl]piperidin-4-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[1-[(2S)-2-azanyl-3-phenyl-propanoyl]piperidin-4-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[1-[(2S)-2-amino-3-phenyl-propanoyl]piperidine-4-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[1-[(2S)-2-amino-1-oxo-3-phenylpropyl]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[1-[(2S)-2-amino-3-phenyl-propanoyl]isonipecotoyl]amino]-3-phenyl-propionic acid Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CC=CC=C2)C(=O)O)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

C1CN(CCC1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)C(=O)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C24H29N3O4/c25-20(15-17-7-3-1-4-8-17)23(29)27-13-11-19(12-14-27)22(28)26-21(24(30)31)16-18-9-5-2-6-10-18/h1-10,19-21H,11-16,25H2,(H,26,28)(H,30,31)/t20-,21-/m0/s1