(phenylmethyl) (3R)-3-(2-azanylethanoylamino)-4-oxidanylidene-4-[[(2S)-1-oxidanylidene-3-phenyl-1-phenylmethoxy-propan-2-yl]amino]butanoate

Systemtic Name: (phenylmethyl) (3R)-3-(2-azanylethanoylamino)-4-oxidanylidene-4-[[(2S)-1-oxidanylidene-3-phenyl-1-phenylmethoxy-propan-2-yl]amino]butanoate Openeye Name: benzyl (3R)-3-[(2-aminoacetyl)amino]-4-[[(1S)-1-benzyl-2-benzyloxy-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: (3R)-3-[(2-amino-1-oxoethyl)amino]-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3R)-3-[(2-aminoacetyl)amino]-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]butanoate Traditional Name: (3R)-4-[[(1S)-2-benzoxy-1-benzyl-2-keto-ethyl]amino]-3-(glycylamino)-4-keto-butyric acid benzyl ester Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C(CC(=O)OCC3=CC=CC=C3)NC(=O)CN

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)[C@@H](CC(=O)OCC3=CC=CC=C3)NC(=O)CN

InChI

InChI=1S/C29H31N3O6/c30-18-26(33)31-24(17-27(34)37-19-22-12-6-2-7-13-22)28(35)32-25(16-21-10-4-1-5-11-21)29(36)38-20-23-14-8-3-9-15-23/h1-15,24-25H,16-20,30H2,(H,31,33)(H,32,35)/t24-,25+/m1/s1