(2S)-2-[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)ethanoyl]amino]-4-methyl-pentanoyl]amino]-5-methyl-2-oxidanylidene-hexanoyl]amino]ethanoylamino]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)ethanoyl]amino]-4-methyl-pentanoyl]amino]-5-methyl-2-oxidanylidene-hexanoyl]amino]ethanoylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(isobutoxycarbonylamino)acetyl]amino]-4-methyl-pentanoyl]amino]-5-methyl-2-oxo-hexanoyl]amino]acetyl]amino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-[[2-methylpropoxy(oxo)methyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-5-methyl-1,2-dioxohexyl]amino]-1-oxoethyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]amino]-4-methylpentanoyl]amino]-5-methyl-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetic acid Traditional Name: (2S)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(isobutoxycarbonylamino)acetyl]amino]-4-methyl-pentanoyl]amino]-2-keto-5-methyl-hexanoyl]amino]acetyl]amino]-2-phenyl-acetic acid Formula: C36H55N5O9 MolecularWeight: 701.85

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C2CCCCC2)NC(=O)OCC(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC(CC(C)C)C(=O)C(=O)NCC(=O)N[C@@H](C1=CC=CC=C1)C(=O)O)NC(=O)[C@H](C2CCCCC2)NC(=O)OCC(C)C

InChI

InChI=1S/C36H55N5O9/c1-21(2)17-26(31(43)34(46)37-19-28(42)40-30(35(47)48)25-15-11-8-12-16-25)38-32(44)27(18-22(3)4)39-33(45)29(24-13-9-7-10-14-24)41-36(49)50-20-23(5)6/h8,11-12,15-16,21-24,26-27,29-30H,7,9-10,13-14,17-20H2,1-6H3,(H,37,46)(H,38,44)(H,39,45)(H,40,42)(H,41,49)(H,47,48)/t26?,27-,29-,30-/m0/s1