4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]pent-4-enoic acid

Systemtic Name: 4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]pent-4-enoic acid Openeye Name: 2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-methyl-pent-4-enoic acid CAS Name: 4-methyl-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-pentenoic acid IUPAC Name: 4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pent-4-enoic acid Traditional Name: 2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-methyl-pent-4-enoic acid Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=C)CC(C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N2O5/c1-13(2)11-16(18(24)25)21-17(23)15(12-14-9-7-6-8-10-14)22-19(26)27-20(3,4)5/h6-10,15-16H,1,11-12H2,2-5H3,(H,21,23)(H,22,26)(H,24,25)/t15-,16?/m0/s1