(2S)-2-[[(2S)-2-(2-cyanoethanoylamino)propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-(2-cyanoethanoylamino)propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[(2-cyanoacetyl)amino]propanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[(2-cyano-1-oxoethyl)amino]-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[(2-cyanoacetyl)amino]propanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[(2-cyanoacetyl)amino]propanoyl]amino]-4-methyl-valeric acid Formula: C12H19N3O4 MolecularWeight: 269.29696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(C)NC(=O)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O4/c1-7(2)6-9(12(18)19)15-11(17)8(3)14-10(16)4-5-13/h7-9H,4,6H2,1-3H3,(H,14,16)(H,15,17)(H,18,19)/t8-,9-/m0/s1