(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanylpropanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanylpropanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C22H33N5O6 MolecularWeight: 463.52732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(C)N

Isomeric SMILES

C[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)O)N

InChI

InChI=1S/C22H33N5O6/c1-13(2)9-17(22(32)33)27-21(31)16(10-15-7-5-4-6-8-15)26-19(29)12-24-18(28)11-25-20(30)14(3)23/h4-8,13-14,16-17H,9-12,23H2,1-3H3,(H,24,28)(H,25,30)(H,26,29)(H,27,31)(H,32,33)/t14-,16-,17-/m0/s1