(2S)-2-[[(2R)-5-[[(5S)-5-azanyl-6-(methylamino)-6-oxidanylidene-hexyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: (2S)-2-[[(2R)-5-[[(5S)-5-azanyl-6-(methylamino)-6-oxidanylidene-hexyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-phenyl-butanoic acid Openeye Name: (2S)-2-[[(1R)-4-[[(5S)-5-amino-6-(methylamino)-6-oxo-hexyl]amino]-1-tert-butoxycarbonyl-4-oxo-butyl]amino]-4-phenyl-butanoic acid CAS Name: (2S)-2-[[(2R)-5-[[(5S)-5-amino-6-(methylamino)-6-oxohexyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-4-phenylbutanoic acid IUPAC Name: (2S)-2-[[(2R)-5-[[(5S)-5-amino-6-(methylamino)-6-oxohexyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-4-phenylbutanoic acid Traditional Name: (2S)-2-[[(1R)-4-[[(5S)-5-amino-6-keto-6-(methylamino)hexyl]amino]-1-tert-butoxycarbonyl-4-keto-butyl]amino]-4-phenyl-butyric acid Formula: C26H42N4O6 MolecularWeight: 506.63488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(=O)NCCCCC(C(=O)NC)N)NC(CCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H](CCC(=O)NCCCC[C@@H](C(=O)NC)N)N[C@@H](CCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C26H42N4O6/c1-26(2,3)36-25(35)21(30-20(24(33)34)14-13-18-10-6-5-7-11-18)15-16-22(31)29-17-9-8-12-19(27)23(32)28-4/h5-7,10-11,19-21,30H,8-9,12-17,27H2,1-4H3,(H,28,32)(H,29,31)(H,33,34)/t19-,20-,21+/m0/s1