pyridin-3-ylmethyl N-[(2S)-1-[[(3S)-1-tert-butylsulfanyl-2-oxidanylidene-5-phenyl-pentan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: pyridin-3-ylmethyl N-[(2S)-1-[[(3S)-1-tert-butylsulfanyl-2-oxidanylidene-5-phenyl-pentan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: 3-pyridylmethyl N-[(1S)-1-[[(1S)-3-tert-butylsulfanyl-2-oxo-1-phenethyl-propyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[(2S)-1-[[(3S)-1-(tert-butylthio)-2-oxo-5-phenylpentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl N-[(2S)-1-[[(3S)-1-tert-butylsulfanyl-2-oxo-5-phenylpentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S)-3-(tert-butylthio)-2-keto-1-phenethyl-propyl]carbamoyl]-3-methyl-butyl]carbamic acid 3-pyridylmethyl ester Formula: C28H39N3O4S MolecularWeight: 513.69196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC1=CC=CC=C1)C(=O)CSC(C)(C)C)NC(=O)OCC2=CN=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)CSC(C)(C)C)NC(=O)OCC2=CN=CC=C2

InChI

InChI=1S/C28H39N3O4S/c1-20(2)16-24(31-27(34)35-18-22-12-9-15-29-17-22)26(33)30-23(25(32)19-36-28(3,4)5)14-13-21-10-7-6-8-11-21/h6-12,15,17,20,23-24H,13-14,16,18-19H2,1-5H3,(H,30,33)(H,31,34)/t23-,24-/m0/s1