tert-butyl (3S)-3-[[(2S)-1-[(2S)-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanyl-5-phenoxy-pentanoate

Systemtic Name: tert-butyl (3S)-3-[[(2S)-1-[(2S)-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanyl-5-phenoxy-pentanoate Openeye Name: tert-butyl (3S)-3-[[(2S)-1-[(2S)-2-amino-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-hydroxy-5-phenoxy-pentanoate CAS Name: (3S)-3-[[[(2S)-1-[(2S)-2-amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-hydroxy-5-phenoxypentanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-hydroxy-5-phenoxypentanoate Traditional Name: (3S)-3-[[(2S)-1-[(2S)-2-amino-3-methyl-butanoyl]prolyl]amino]-4-hydroxy-5-phenoxy-valeric acid tert-butyl ester Formula: C25H39N3O6 MolecularWeight: 477.59366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)OC(C)(C)C)C(COC2=CC=CC=C2)O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(COC2=CC=CC=C2)O)N

InChI

InChI=1S/C25H39N3O6/c1-16(2)22(26)24(32)28-13-9-12-19(28)23(31)27-18(14-21(30)34-25(3,4)5)20(29)15-33-17-10-7-6-8-11-17/h6-8,10-11,16,18-20,22,29H,9,12-15,26H2,1-5H3,(H,27,31)/t18-,19-,20?,22-/m0/s1