5-[[(2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-[[(2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonylamino]pentanoic acid Openeye Name: 5-[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid CAS Name: 5-[[[(2S)-1-[(3R)-3-amino-1-oxo-4-phenylbutyl]-2-pyrrolidinyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-[[(2S)-1-[(3R)-3-amino-4-phenylbutanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid Traditional Name: 5-[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]prolyl]amino]valeric acid Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4/c21-16(13-15-7-2-1-3-8-15)14-18(24)23-12-6-9-17(23)20(27)22-11-5-4-10-19(25)26/h1-3,7-8,16-17H,4-6,9-14,21H2,(H,22,27)(H,25,26)/t16-,17+/m1/s1