prop-2-ynyl 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: prop-2-ynyl 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: prop-2-ynyl 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 prop-2-ynyl ester IUPAC Name: prop-2-ynyl 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 propargyl ester Formula: C33H45F2N3O6S MolecularWeight: 649.788706

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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)OCC#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)OCC#C

InChI

InChI=1S/C33H45F2N3O6S/c1-5-10-28(11-6-2)45(42,43)22-30(38-33(41)44-14-7-3)32(40)37-29(18-25-16-26(34)19-27(35)17-25)31(39)21-36-20-24-13-9-12-23(8-4)15-24/h3,9,12-13,15-17,19,28-31,36,39H,5-6,8,10-11,14,18,20-22H2,1-2,4H3,(H,37,40)(H,38,41)/t29-,30+,31+/m0/s1