tert-butyl (E,4S)-5-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-4-[[(2S)-2-[3-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanylidene-pyridin-1-yl]pent-4-ynoyl]amino]pent-2-enoate

Systemtic Name: tert-butyl (E,4S)-5-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-4-[[(2S)-2-[3-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanylidene-pyridin-1-yl]pent-4-ynoyl]amino]pent-2-enoate Openeye Name: tert-butyl (E,4S)-5-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-pyrrolidin-3-yl]-4-[[(2S)-2-[3-[(5-methylisoxazole-3-carbonyl)amino]-2-oxo-1-pyridyl]pent-4-ynoyl]amino]pent-2-enoate CAS Name: (E,4S)-5-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3-pyrrolidinyl]-4-[[(2S)-2-[3-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-2-oxo-1-pyridinyl]-1-oxopent-4-ynyl]amino]-2-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,4S)-5-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-[[(2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxopyridin-1-yl]pent-4-ynoyl]amino]pent-2-enoate Traditional Name: (E,4S)-5-[(3S)-1-(2,4-dimethoxybenzyl)-2-keto-pyrrolidin-3-yl]-4-[[(2S)-2-[2-keto-3-[(5-methylisoxazole-3-carbonyl)amino]-1-pyridyl]pent-4-ynoyl]amino]pent-2-enoic acid tert-butyl ester Formula: C37H43N5O9 MolecularWeight: 701.76542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NC2=CC=CN(C2=O)C(CC#C)C(=O)NC(CC3CCN(C3=O)CC4=C(C=C(C=C4)OC)OC)C=CC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=NO1)C(=O)NC2=CC=CN(C2=O)[C@@H](CC#C)C(=O)N[C@@H](C[C@@H]3CCN(C3=O)CC4=C(C=C(C=C4)OC)OC)/C=C/C(=O)OC(C)(C)C

InChI

InChI=1S/C37H43N5O9/c1-8-10-30(42-17-9-11-28(36(42)47)39-33(44)29-19-23(2)51-40-29)34(45)38-26(13-15-32(43)50-37(3,4)5)20-24-16-18-41(35(24)46)22-25-12-14-27(48-6)21-31(25)49-7/h1,9,11-15,17,19,21,24,26,30H,10,16,18,20,22H2,2-7H3,(H,38,45)(H,39,44)/b15-13+/t24-,26+,30-/m0/s1