ethyl (3S)-3-[(3aR,6S,6aR)-2,2-dimethyl-6-phenoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[cyclopropyl-[(phenylmethyl)carbamoyl]amino]propanoate

Systemtic Name: ethyl (3S)-3-[(3aR,6S,6aR)-2,2-dimethyl-6-phenoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[cyclopropyl-[(phenylmethyl)carbamoyl]amino]propanoate Openeye Name: ethyl (3S)-3-[(3aR,6S,6aR)-2,2-dimethyl-6-phenoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[benzylcarbamoyl(cyclopropyl)amino]propanoate CAS Name: (3S)-3-[(3aR,6S,6aR)-2,2-dimethyl-6-phenoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[cyclopropyl-[oxo-[(phenylmethyl)amino]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3aR,6S,6aR)-2,2-dimethyl-6-phenoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[benzylcarbamoyl(cyclopropyl)amino]propanoate Traditional Name: (3S)-3-[(3aR,6S,6aR)-2,2-dimethyl-6-phenoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[benzylcarbamoyl(cyclopropyl)amino]propionic acid ethyl ester Formula: C29H36N2O7 MolecularWeight: 524.60534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1C(C2C(O1)OC(O2)(C)C)OC3=CC=CC=C3)N(C4CC4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C[C@@H](C1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OC3=CC=CC=C3)N(C4CC4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C29H36N2O7/c1-4-34-23(32)17-22(31(20-15-16-20)28(33)30-18-19-11-7-5-8-12-19)24-25(35-21-13-9-6-10-14-21)26-27(36-24)38-29(2,3)37-26/h5-14,20,22,24-27H,4,15-18H2,1-3H3,(H,30,33)/t22-,24?,25-,26+,27+/m0/s1