(2S)-5-methyl-2-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-2-prop-2-enyl-hexanoic acid

Systemtic Name: (2S)-5-methyl-2-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-2-prop-2-enyl-hexanoic acid Openeye Name: (2S)-2-allyl-2-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]-5-methyl-hexanoic acid CAS Name: (2S)-5-methyl-2-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-prop-2-enylhexanoic acid IUPAC Name: (2S)-5-methyl-2-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-2-prop-2-enylhexanoic acid Traditional Name: (2S)-2-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]-2-isoamyl-pent-4-enoic acid Formula: C21H30N2O4 MolecularWeight: 374.4739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC=C)(C(=O)NC(CC1=CC=CC=C1)C(=O)NC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4/c1-5-12-21(20(26)27,13-11-15(2)3)19(25)23-17(18(24)22-4)14-16-9-7-6-8-10-16/h5-10,15,17H,1,11-14H2,2-4H3,(H,22,24)(H,23,25)(H,26,27)/t17-,21+/m0/s1