methyl 1-[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[(2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)OC)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCCC1C(=O)OC)NC(=O)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C21H31N3O4/c1-14(2)12-17(20(26)24-11-7-10-18(24)21(27)28-3)23-19(25)16(22)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-18H,7,10-13,22H2,1-3H3,(H,23,25)/t16-,17-,18?/m0/s1