2,4-bis[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-3-phenyl-propanoyl]amino]butanoic acid

Systemtic Name: 2,4-bis[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-3-phenyl-propanoyl]amino]butanoic acid Openeye Name: 2,4-bis[[(2S)-2-(tert-butoxycarbonylamino)-3-hydroxy-3-phenyl-propanoyl]amino]butanoic acid CAS Name: 2,4-bis[[(2S)-3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]butanoic acid IUPAC Name: 2,4-bis[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]butanoic acid Traditional Name: 2,4-bis[[(2S)-2-(tert-butoxycarbonylamino)-3-hydroxy-3-phenyl-propanoyl]amino]butyric acid Formula: C32H44N4O10 MolecularWeight: 644.71256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(C1=CC=CC=C1)O)C(=O)NCCC(C(=O)O)NC(=O)C(C(C2=CC=CC=C2)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C(C1=CC=CC=C1)O)C(=O)NCCC(C(=O)O)NC(=O)[C@H](C(C2=CC=CC=C2)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C32H44N4O10/c1-31(2,3)45-29(43)35-22(24(37)19-13-9-7-10-14-19)26(39)33-18-17-21(28(41)42)34-27(40)23(36-30(44)46-32(4,5)6)25(38)20-15-11-8-12-16-20/h7-16,21-25,37-38H,17-18H2,1-6H3,(H,33,39)(H,34,40)(H,35,43)(H,36,44)(H,41,42)/t21?,22-,23-,24?,25?/m0/s1