(2S)-2-[(3S)-4-[(2S)-2-azanylpropanoyl]-3-methyl-2-oxidanylidene-piperazin-1-yl]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(3S)-4-[(2S)-2-azanylpropanoyl]-3-methyl-2-oxidanylidene-piperazin-1-yl]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(3S)-4-[(2S)-2-aminopropanoyl]-3-methyl-2-oxo-piperazin-1-yl]-3-phenyl-propanoic acid CAS Name: (2S)-2-[(3S)-4-[(2S)-2-amino-1-oxopropyl]-3-methyl-2-oxo-1-piperazinyl]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(3S)-4-[(2S)-2-aminopropanoyl]-3-methyl-2-oxopiperazin-1-yl]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(3S)-4-[(2S)-2-aminopropanoyl]-2-keto-3-methyl-piperazino]-3-phenyl-propionic acid Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1C(=O)C(C)N)C(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C[C@H]1C(=O)N(CCN1C(=O)[C@H](C)N)[C@@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H23N3O4/c1-11(18)15(21)19-8-9-20(16(22)12(19)2)14(17(23)24)10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,18H2,1-2H3,(H,23,24)/t11-,12-,14-/m0/s1