phenyl (2S)-2-[[(2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: phenyl (2S)-2-[[(2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: phenyl (2S)-2-[[(2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[(2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid phenyl ester IUPAC Name: phenyl (2S)-2-[[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-1-(2-keto-3,3-dimethyl-pentanoyl)prolyl]amino]-3-phenyl-propionic acid phenyl ester Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C27H32N2O5/c1-4-27(2,3)23(30)25(32)29-17-11-16-22(29)24(31)28-21(18-19-12-7-5-8-13-19)26(33)34-20-14-9-6-10-15-20/h5-10,12-15,21-22H,4,11,16-18H2,1-3H3,(H,28,31)/t21-,22-/m0/s1