(phenylmethyl) (NE)-N-[azanyl-[(3S)-2-oxidanylidene-3-[[(2S)-1-(3-phenylpropanoyl)pyrrolidin-2-yl]carbonylamino]piperidin-1-yl]methylidene]carbamate

Systemtic Name: (phenylmethyl) (NE)-N-[azanyl-[(3S)-2-oxidanylidene-3-[[(2S)-1-(3-phenylpropanoyl)pyrrolidin-2-yl]carbonylamino]piperidin-1-yl]methylidene]carbamate Openeye Name: benzyl (NE)-N-[amino-[(3S)-2-oxo-3-[[(2S)-1-(3-phenylpropanoyl)pyrrolidine-2-carbonyl]amino]-1-piperidyl]methylene]carbamate CAS Name: (NE)-N-[amino-[(3S)-2-oxo-3-[[oxo-[(2S)-1-(1-oxo-3-phenylpropyl)-2-pyrrolidinyl]methyl]amino]-1-piperidinyl]methylidene]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl (NE)-N-[amino-[(3S)-2-oxo-3-[[(2S)-1-(3-phenylpropanoyl)pyrrolidine-2-carbonyl]amino]piperidin-1-yl]methylidene]carbamate Traditional Name: (NE)-N-[amino-[(3S)-3-[[(2S)-1-hydrocinnamoylprolyl]amino]-2-keto-piperidino]methylene]carbamic acid benzyl ester Formula: C28H33N5O5 MolecularWeight: 519.59212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)C(=NC(=O)OCC2=CC=CC=C2)N)NC(=O)C3CCCN3C(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C(=O)N(C1)/C(=N/C(=O)OCC2=CC=CC=C2)/N)NC(=O)[C@@H]3CCCN3C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H33N5O5/c29-27(31-28(37)38-19-21-11-5-2-6-12-21)33-18-7-13-22(26(33)36)30-25(35)23-14-8-17-32(23)24(34)16-15-20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,30,35)(H2,29,31,37)/t22-,23-/m0/s1