[2-azanyl-3-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl] (2S)-2-formamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-azanyl-3-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl] (2S)-2-formamido-4-methylsulfanyl-butanoate Openeye Name: [2-amino-3-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-2-methyl-3-oxo-propyl] (2S)-2-formamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-formamido-4-(methylthio)butanoic acid [2-amino-3-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-3-oxopropyl] ester IUPAC Name: [2-amino-3-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-3-oxopropyl] (2S)-2-formamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-formamido-4-(methylthio)butyric acid [2-amino-3-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-3-keto-2-methyl-propyl] ester Formula: C20H29N3O6S MolecularWeight: 439.52576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C(CCSC)NC=O)(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)N

Isomeric SMILES

CC(COC(=O)[C@H](CCSC)NC=O)(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)N

InChI

InChI=1S/C20H29N3O6S/c1-20(21,12-29-18(26)15(22-13-24)9-10-30-3)19(27)23-16(17(25)28-2)11-14-7-5-4-6-8-14/h4-8,13,15-16H,9-12,21H2,1-3H3,(H,22,24)(H,23,27)/t15-,16-,20?/m0/s1