methyl (2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-5-azanyl-pentanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-5-azanyl-pentanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-5-amino-pentanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-5-amino-1-oxopentyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-5-aminopentanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-5-amino-pentanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C22H32N4O5 MolecularWeight: 432.51328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN)C(=O)N2CCCC2C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN)C(=O)N2CCC[C@H]2C(=O)OC

InChI

InChI=1S/C22H32N4O5/c1-15(27)24-18(14-16-8-4-3-5-9-16)20(28)25-17(10-6-12-23)21(29)26-13-7-11-19(26)22(30)31-2/h3-5,8-9,17-19H,6-7,10-14,23H2,1-2H3,(H,24,27)(H,25,28)/t17-,18-,19-/m0/s1