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

Systemtic Name: 2-[[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]propanoic acid Openeye Name: 2-[[(1S)-2-methyl-1-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]butyl]amino]propanoic acid CAS Name: 2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]propanoic acid IUPAC Name: 2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]propanoic acid Traditional Name: 2-[[(1S)-2-methyl-1-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]butyl]amino]propionic acid Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC1=CC=CC=C1)NC(C)C(=O)O

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NC1=CC=CC=C1)NC(C)C(=O)O

InChI

InChI=1S/C21H33N3O4/c1-6-14(4)18(22-15(5)21(27)28)20(26)24-17(12-13(2)3)19(25)23-16-10-8-7-9-11-16/h7-11,13-15,17-18,22H,6,12H2,1-5H3,(H,23,25)(H,24,26)(H,27,28)/t14?,15?,17-,18-/m0/s1