(phenylmethyl) (2S)-3-methyl-2-[[(2R)-4-methyl-2-[[2-oxidanylidene-2-[(2S)-1-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]ethanoyl]amino]pentanoyl]amino]butanoate

Systemtic Name: (phenylmethyl) (2S)-3-methyl-2-[[(2R)-4-methyl-2-[[2-oxidanylidene-2-[(2S)-1-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]ethanoyl]amino]pentanoyl]amino]butanoate Openeye Name: benzyl (2S)-2-[[(2R)-2-[[2-[(2S)-1-[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]pyrrolidin-2-yl]-2-oxo-acetyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2R)-2-[[1,2-dioxo-2-[(2S)-1-[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinyl]ethyl]amino]-4-methyl-1-oxopentyl]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-methyl-2-[[(2R)-4-methyl-2-[[2-oxo-2-[(2S)-1-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]acetyl]amino]pentanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2R)-2-[[2-[(2S)-1-[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]pyrrolidin-2-yl]-2-keto-acetyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butyric acid benzyl ester Formula: C41H50N4O8 MolecularWeight: 726.8577

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)OCC1=CC=CC=C1)NC(=O)C(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)OCC1=CC=CC=C1)NC(=O)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C41H50N4O8/c1-27(2)23-32(37(47)44-35(28(3)4)40(50)52-25-30-17-10-6-11-18-30)42-38(48)36(46)34-21-14-22-45(34)39(49)33(24-29-15-8-5-9-16-29)43-41(51)53-26-31-19-12-7-13-20-31/h5-13,15-20,27-28,32-35H,14,21-26H2,1-4H3,(H,42,48)(H,43,51)(H,44,47)/t32-,33+,34+,35+/m1/s1