(2S)-N-tert-butyl-1-[(2S,3S)-3-[[(2S)-2-(2-isoquinolin-5-yloxyethanoylamino)-3-methyl-butanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-tert-butyl-1-[(2S,3S)-3-[[(2S)-2-(2-isoquinolin-5-yloxyethanoylamino)-3-methyl-butanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-tert-butyl-1-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methyl-butanoyl]amino]-4-phenyl-butanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-tert-butyl-1-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[2-(5-isoquinolinyloxy)-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-4-phenylbutyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-tert-butyl-1-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylbutanoyl]amino]-4-phenylbutanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-tert-butyl-1-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methyl-butanoyl]amino]-4-phenyl-butanoyl]pyrrolidine-2-carboxamide Formula: C35H45N5O6 MolecularWeight: 631.7617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(C(=O)N2CCCC2C(=O)NC(C)(C)C)O)NC(=O)COC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](C(=O)N2CCC[C@H]2C(=O)NC(C)(C)C)O)NC(=O)COC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C35H45N5O6/c1-22(2)30(38-29(41)21-46-28-15-9-13-24-20-36-17-16-25(24)28)33(44)37-26(19-23-11-7-6-8-12-23)31(42)34(45)40-18-10-14-27(40)32(43)39-35(3,4)5/h6-9,11-13,15-17,20,22,26-27,30-31,42H,10,14,18-19,21H2,1-5H3,(H,37,44)(H,38,41)(H,39,43)/t26-,27-,30-,31-/m0/s1