(phenylmethyl) N-[3-[[(2S)-4-[(2S,4S)-2-(tert-butylcarbamoyl)-4-chloranyl-pyrrolidin-1-yl]-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]amino]-3-oxidanylidene-prop-1-en-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[3-[[(2S)-4-[(2S,4S)-2-(tert-butylcarbamoyl)-4-chloranyl-pyrrolidin-1-yl]-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]amino]-3-oxidanylidene-prop-1-en-2-yl]carbamate Openeye Name: benzyl N-[1-[[(1S)-1-benzyl-3-[(2S,4S)-2-(tert-butylcarbamoyl)-4-chloro-pyrrolidin-1-yl]-2-hydroxy-3-oxo-propyl]carbamoyl]vinyl]carbamate CAS Name: N-[3-[[(2S)-4-[(2S,4S)-2-[(tert-butylamino)-oxomethyl]-4-chloro-1-pyrrolidinyl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-3-oxoprop-1-en-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[[(2S)-4-[(2S,4S)-2-(tert-butylcarbamoyl)-4-chloropyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-3-oxoprop-1-en-2-yl]carbamate Traditional Name: N-[1-[[(1S)-1-benzyl-3-[(2S,4S)-2-(tert-butylcarbamoyl)-4-chloro-pyrrolidino]-2-hydroxy-3-keto-propyl]carbamoyl]vinyl]carbamic acid benzyl ester Formula: C30H37ClN4O6 MolecularWeight: 585.09098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC(CN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(=C)NC(=O)OCC3=CC=CC=C3)O)Cl

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1C[C@@H](CN1C(=O)C([C@H](CC2=CC=CC=C2)NC(=O)C(=C)NC(=O)OCC3=CC=CC=C3)O)Cl

InChI

InChI=1S/C30H37ClN4O6/c1-19(32-29(40)41-18-21-13-9-6-10-14-21)26(37)33-23(15-20-11-7-5-8-12-20)25(36)28(39)35-17-22(31)16-24(35)27(38)34-30(2,3)4/h5-14,22-25,36H,1,15-18H2,2-4H3,(H,32,40)(H,33,37)(H,34,38)/t22-,23-,24-,25?/m0/s1