cycloheptyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoate

Systemtic Name: cycloheptyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoate Openeye Name: cycloheptyl (E,4S)-4-(tert-butoxycarbonylamino)-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate CAS Name: (E,4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic acid cycloheptyl ester IUPAC Name: cycloheptyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate Traditional Name: (E,4S)-4-(tert-butoxycarbonylamino)-5-[(3S)-2-ketopyrrolidin-3-yl]pent-2-enoic acid cycloheptyl ester Formula: C21H34N2O5 MolecularWeight: 394.50506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CCNC1=O)C=CC(=O)OC2CCCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCNC1=O)/C=C/C(=O)OC2CCCCCC2

InChI

InChI=1S/C21H34N2O5/c1-21(2,3)28-20(26)23-16(14-15-12-13-22-19(15)25)10-11-18(24)27-17-8-6-4-5-7-9-17/h10-11,15-17H,4-9,12-14H2,1-3H3,(H,22,25)(H,23,26)/b11-10+/t15-,16+/m0/s1