(3S)-4-[[(2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-3-(tetradecanoylamino)butanoic acid

Systemtic Name: (3S)-4-[[(2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-3-(tetradecanoylamino)butanoic acid Openeye Name: (3S)-4-[[(1S)-1-benzyl-2-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-4-oxo-3-(tetradecanoylamino)butanoic acid CAS Name: (3S)-4-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxo-3-(1-oxotetradecylamino)butanoic acid IUPAC Name: (3S)-4-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxo-3-(tetradecanoylamino)butanoic acid Traditional Name: (3S)-4-[[(1S)-1-benzyl-2-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-2-keto-ethyl]amino]-4-keto-3-(tetradecanoylamino)butyric acid Formula: C33H54N4O6 MolecularWeight: 602.80506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C33H54N4O6/c1-4-5-6-7-8-9-10-11-12-13-17-20-29(38)35-28(23-30(39)40)33(43)37-27(22-25-18-15-14-16-19-25)32(42)36-26(31(34)41)21-24(2)3/h14-16,18-19,24,26-28H,4-13,17,20-23H2,1-3H3,(H2,34,41)(H,35,38)(H,36,42)(H,37,43)(H,39,40)/t26-,27-,28-/m0/s1