(2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-1-oxo-4-phenylbutyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-3-methyl-butanoyl]prolyl]proline Formula: C25H36N4O6 MolecularWeight: 488.57654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)O)NC(=O)C(C(CC3=CC=CC=C3)N)O

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H]([C@@H](CC3=CC=CC=C3)N)O

InChI

InChI=1S/C25H36N4O6/c1-15(2)20(27-22(31)21(30)17(26)14-16-8-4-3-5-9-16)24(33)28-12-6-10-18(28)23(32)29-13-7-11-19(29)25(34)35/h3-5,8-9,15,17-21,30H,6-7,10-14,26H2,1-2H3,(H,27,31)(H,34,35)/t17-,18+,19+,20+,21+/m1/s1