(phenylmethyl) (2S)-2-[[(3R,4S)-2,2-bis(chloranyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-5-phenyl-pentanoyl]amino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(3R,4S)-2,2-bis(chloranyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-5-phenyl-pentanoyl]amino]-3-methyl-butanoate Openeye Name: benzyl (2S)-2-[[(3R,4S)-4-(tert-butoxycarbonylamino)-2,2-dichloro-3-hydroxy-5-phenyl-pentanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(3R,4S)-2,2-dichloro-3-hydroxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-5-phenylpentyl]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(3R,4S)-2,2-dichloro-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(3R,4S)-4-(tert-butoxycarbonylamino)-2,2-dichloro-3-hydroxy-5-phenyl-pentanoyl]amino]-3-methyl-butyric acid benzyl ester Formula: C28H36Cl2N2O6 MolecularWeight: 567.50124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(C(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)(Cl)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)(Cl)Cl

InChI

InChI=1S/C28H36Cl2N2O6/c1-18(2)22(24(34)37-17-20-14-10-7-11-15-20)32-25(35)28(29,30)23(33)21(16-19-12-8-6-9-13-19)31-26(36)38-27(3,4)5/h6-15,18,21-23,33H,16-17H2,1-5H3,(H,31,36)(H,32,35)/t21-,22-,23+/m0/s1