[(3S)-1-(1,3-benzodioxol-5-ylsulfonyl)-4,4-dimethyl-pyrrolidin-3-yl] N-[(3S)-1,2-bis(oxidanylidene)-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate

Systemtic Name: [(3S)-1-(1,3-benzodioxol-5-ylsulfonyl)-4,4-dimethyl-pyrrolidin-3-yl] N-[(3S)-1,2-bis(oxidanylidene)-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate Openeye Name: [(3S)-1-(1,3-benzodioxol-5-ylsulfonyl)-4,4-dimethyl-pyrrolidin-3-yl] N-[(1S)-1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]acetyl]pentyl]carbamate CAS Name: N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamic acid [(3S)-1-(1,3-benzodioxol-5-ylsulfonyl)-4,4-dimethyl-3-pyrrolidinyl] ester IUPAC Name: [(3S)-1-(1,3-benzodioxol-5-ylsulfonyl)-4,4-dimethylpyrrolidin-3-yl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate Traditional Name: N-[(1S)-1-[2-keto-2-[[(1R)-1-phenylethyl]amino]acetyl]pentyl]carbamic acid [(3S)-1-(1,3-benzodioxol-5-ylsulfonyl)-4,4-dimethyl-pyrrolidin-3-yl] ester Formula: C29H37N3O8S MolecularWeight: 587.68438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(=O)NC(C)C1=CC=CC=C1)NC(=O)OC2CN(CC2(C)C)S(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC[C@@H](C(=O)C(=O)N[C@H](C)C1=CC=CC=C1)NC(=O)O[C@@H]2CN(CC2(C)C)S(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C29H37N3O8S/c1-5-6-12-22(26(33)27(34)30-19(2)20-10-8-7-9-11-20)31-28(35)40-25-16-32(17-29(25,3)4)41(36,37)21-13-14-23-24(15-21)39-18-38-23/h7-11,13-15,19,22,25H,5-6,12,16-18H2,1-4H3,(H,30,34)(H,31,35)/t19-,22+,25-/m1/s1