methyl 4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-3-ethanoylsulfanyl-6-methyl-heptanoate

Systemtic Name: methyl 4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-3-ethanoylsulfanyl-6-methyl-heptanoate Openeye Name: methyl 3-acetylsulfanyl-4-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-6-methyl-heptanoate CAS Name: 3-(acetylthio)-4-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-6-methylheptanoic acid methyl ester IUPAC Name: methyl 3-acetylsulfanyl-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-6-methylheptanoate Traditional Name: 3-(acetylthio)-4-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-6-methyl-enanthic acid methyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)OC)SC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N

Isomeric SMILES

CC(C)CC(C(CC(=O)OC)SC(=O)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N

InChI

InChI=1S/C21H30N2O5S/c1-13(2)10-16(18(29-14(3)24)12-19(25)28-4)21(27)23-17(20(22)26)11-15-8-6-5-7-9-15/h5-9,13,16-18H,10-12H2,1-4H3,(H2,22,26)(H,23,27)/t16?,17-,18?/m0/s1