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

Systemtic Name: (2R)-2-[[(2S)-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-4-(methylsulfonylamino)-1-oxidanylidene-butan-2-yl]amino]propanoic acid Openeye Name: (2R)-2-[[(1S)-3-(methanesulfonamido)-1-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]propyl]amino]propanoic acid CAS Name: (2R)-2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-4-(methanesulfonamido)-1-oxobutan-2-yl]amino]propanoic acid IUPAC Name: (2R)-2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-4-(methanesulfonamido)-1-oxobutan-2-yl]amino]propanoic acid Traditional Name: (2R)-2-[[(1S)-3-(methanesulfonamido)-1-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]propyl]amino]propionic acid Formula: C20H32N4O6S MolecularWeight: 456.55628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O6S/c1-13(2)12-17(19(26)23-15-8-6-5-7-9-15)24-18(25)16(22-14(3)20(27)28)10-11-21-31(4,29)30/h5-9,13-14,16-17,21-22H,10-12H2,1-4H3,(H,23,26)(H,24,25)(H,27,28)/t14-,16+,17+/m1/s1