(2R)-2-[[(2S)-3-benzamido-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]propanoic acid

Systemtic Name: (2R)-2-[[(2S)-3-benzamido-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]propanoic acid Openeye Name: (2R)-2-[[(1S)-1-(benzamidomethyl)-2-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]amino]-2-oxo-ethyl]amino]propanoic acid CAS Name: (2R)-2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-3-benzamido-1-oxopropan-2-yl]amino]propanoic acid IUPAC Name: (2R)-2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-3-benzamido-1-oxopropan-2-yl]amino]propanoic acid Traditional Name: (2R)-2-[[(1S)-1-(benzamidomethyl)-2-keto-2-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]amino]ethyl]amino]propionic acid Formula: C25H32N4O5 MolecularWeight: 468.54538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CNC(=O)C2=CC=CC=C2)NC(C)C(=O)O

Isomeric SMILES

C[C@H](C(=O)O)N[C@@H](CNC(=O)C1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C25H32N4O5/c1-16(2)14-20(23(31)28-19-12-8-5-9-13-19)29-24(32)21(27-17(3)25(33)34)15-26-22(30)18-10-6-4-7-11-18/h4-13,16-17,20-21,27H,14-15H2,1-3H3,(H,26,30)(H,28,31)(H,29,32)(H,33,34)/t17-,20+,21+/m1/s1