2-[[(2S)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]pentanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[[(2S)-1-benzyloxycarbonylpyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]acetic acid CAS Name: 2-[[(2S)-4-methyl-1-oxo-2-[[oxo-[(2S)-1-phenylmethoxycarbonyl-2-pyrrolidinyl]methyl]amino]pentyl]amino]acetic acid IUPAC Name: 2-[[(2S)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[[(2S)-1-carbobenzoxyprolyl]amino]-4-methyl-pentanoyl]amino]acetic acid Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)O)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H29N3O6/c1-14(2)11-16(19(27)22-12-18(25)26)23-20(28)17-9-6-10-24(17)21(29)30-13-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3,(H,22,27)(H,23,28)(H,25,26)/t16-,17-/m0/s1