methyl (2S)-2-[[(2S)-1-[(2S)-2-azanylpropanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-1-[(2S)-2-azanylpropanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[(2S)-1-[(2S)-2-amino-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]prolyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)OC)N

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)N

InChI

InChI=1S/C18H25N3O4/c1-12(19)17(23)21-10-6-9-15(21)16(22)20-14(18(24)25-2)11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11,19H2,1-2H3,(H,20,22)/t12-,14-,15-/m0/s1