(2R)-3-(1H-imidazol-5-yl)-2-[[4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]amino]pentan-2-yl]amino]propanoic acid

Systemtic Name: (2R)-3-(1H-imidazol-5-yl)-2-[[4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]amino]pentan-2-yl]amino]propanoic acid Openeye Name: (2R)-2-[[1-[[(1S)-1-benzyl-2-(benzylamino)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2R)-3-(1H-imidazol-5-yl)-2-[[4-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]amino]pentan-2-yl]amino]propanoic acid IUPAC Name: (2R)-2-[[1-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2R)-2-[[1-[[(1S)-1-benzyl-2-(benzylamino)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C28H35N5O4 MolecularWeight: 505.6086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2)NC(CC3=CN=CN3)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2)N[C@H](CC3=CN=CN3)C(=O)O

InChI

InChI=1S/C28H35N5O4/c1-19(2)13-23(32-25(28(36)37)15-22-17-29-18-31-22)27(35)33-24(14-20-9-5-3-6-10-20)26(34)30-16-21-11-7-4-8-12-21/h3-12,17-19,23-25,32H,13-16H2,1-2H3,(H,29,31)(H,30,34)(H,33,35)(H,36,37)/t23?,24-,25+/m0/s1