(2S)-2-[[(2S)-4-methyl-2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: (2S)-2-[[(2S)-4-methyl-2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: (2S)-6-(benzyloxycarbonylamino)-2-[[(2S)-2-[[(2R)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]hexanoic acid CAS Name: (2S)-2-[[(2S)-4-methyl-2-[[(2R)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-1-oxopentyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: (2S)-2-[[(2S)-4-methyl-2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: (2S)-6-(benzyloxycarbonylamino)-2-[[(2S)-2-[[(2R)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]hexanoic acid Formula: C33H46N4O8 MolecularWeight: 626.74034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)O)NC(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)O)NC(=O)[C@@H](C(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C33H46N4O8/c1-22(2)19-27(36-30(39)28(23(3)4)37-33(43)45-21-25-15-9-6-10-16-25)29(38)35-26(31(40)41)17-11-12-18-34-32(42)44-20-24-13-7-5-8-14-24/h5-10,13-16,22-23,26-28H,11-12,17-21H2,1-4H3,(H,34,42)(H,35,38)(H,36,39)(H,37,43)(H,40,41)/t26-,27-,28+/m0/s1