tert-butyl (2S)-1-[(2R,3S)-3-[[(2S)-4-azanyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[(2R,3S)-3-[[(2S)-4-azanyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[(2R,3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2R,3S)-3-[[(2S)-4-amino-2-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-1,4-dioxobutyl]amino]-2-hydroxy-4-phenylbutyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[(2R,3S)-3-[[(2S)-4-amino-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R,3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C37H53N5O8 MolecularWeight: 695.84542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(CN2CCCC2C(=O)OC(C)(C)C)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CN2CCC[C@H]2C(=O)OC(C)(C)C)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C37H53N5O8/c1-24(2)19-28(41-36(48)49-23-26-15-10-7-11-16-26)33(45)40-29(21-32(38)44)34(46)39-27(20-25-13-8-6-9-14-25)31(43)22-42-18-12-17-30(42)35(47)50-37(3,4)5/h6-11,13-16,24,27-31,43H,12,17-23H2,1-5H3,(H2,38,44)(H,39,46)(H,40,45)(H,41,48)/t27-,28-,29-,30-,31+/m0/s1