[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-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-(2,3-dihydro-1,4-benzodioxin-6-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-(2,3-dihydro-1,4-benzodioxin-6-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-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4,4-dimethyl-3-pyrrolidinyl] ester IUPAC Name: [(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-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-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4,4-dimethyl-pyrrolidin-3-yl] ester Formula: C30H39N3O8S MolecularWeight: 601.71096

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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)OCCO4

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)OCCO4

InChI

InChI=1S/C30H39N3O8S/c1-5-6-12-23(27(34)28(35)31-20(2)21-10-8-7-9-11-21)32-29(36)41-26-18-33(19-30(26,3)4)42(37,38)22-13-14-24-25(17-22)40-16-15-39-24/h7-11,13-14,17,20,23,26H,5-6,12,15-16,18-19H2,1-4H3,(H,31,35)(H,32,36)/t20-,23+,26-/m1/s1