propan-2-yl N-[(2S)-1-[[(2S,3R)-1-[3,5-bis(fluoranyl)phenyl]-4-[(3-ethylphenyl)methylamino]-3-oxidanyl-butan-2-yl]amino]-3-heptan-4-ylsulfonyl-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: propan-2-yl N-[(2S)-1-[[(2S,3R)-1-[3,5-bis(fluoranyl)phenyl]-4-[(3-ethylphenyl)methylamino]-3-oxidanyl-butan-2-yl]amino]-3-heptan-4-ylsulfonyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: isopropyl N-[(1S)-2-[[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-3-[(3-ethylphenyl)methylamino]-2-hydroxy-propyl]amino]-2-oxo-1-(1-propylbutylsulfonylmethyl)ethyl]carbamate CAS Name: N-[(2S)-1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-3-heptan-4-ylsulfonyl-1-oxopropan-2-yl]carbamic acid propan-2-yl ester IUPAC Name: propan-2-yl N-[(2S)-1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-3-heptan-4-ylsulfonyl-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxy-propyl]amino]-2-keto-1-(1-propylbutylsulfonylmethyl)ethyl]carbamic acid isopropyl ester Formula: C33H49F2N3O6S MolecularWeight: 653.820466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNCC2=CC=CC(=C2)CC)O)NC(=O)OC(C)C

Isomeric SMILES

CCCC(CCC)S(=O)(=O)C[C@H](C(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CNCC2=CC=CC(=C2)CC)O)NC(=O)OC(C)C

InChI

InChI=1S/C33H49F2N3O6S/c1-6-10-28(11-7-2)45(42,43)21-30(38-33(41)44-22(4)5)32(40)37-29(17-25-15-26(34)18-27(35)16-25)31(39)20-36-19-24-13-9-12-23(8-3)14-24/h9,12-16,18,22,28-31,36,39H,6-8,10-11,17,19-21H2,1-5H3,(H,37,40)(H,38,41)/t29-,30+,31+/m0/s1