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

Systemtic Name: pyridin-3-ylmethyl N-[(2S)-1-[[(2S)-4-tert-butylsulfanyl-3-oxidanylidene-1-phenyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: 3-pyridylmethyl N-[(1S)-1-[[(1S)-1-benzyl-3-tert-butylsulfanyl-2-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-4-(tert-butylthio)-3-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl N-[(2S)-1-[[(2S)-4-tert-butylsulfanyl-3-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S)-1-benzyl-3-(tert-butylthio)-2-keto-propyl]carbamoyl]-3-methyl-butyl]carbamic acid 3-pyridylmethyl ester Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=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](CC1=CC=CC=C1)C(=O)CSC(C)(C)C)NC(=O)OCC2=CN=CC=C2

InChI

InChI=1S/C27H37N3O4S/c1-19(2)14-23(30-26(33)34-17-21-12-9-13-28-16-21)25(32)29-22(15-20-10-7-6-8-11-20)24(31)18-35-27(3,4)5/h6-13,16,19,22-23H,14-15,17-18H2,1-5H3,(H,29,32)(H,30,33)/t22-,23-/m0/s1