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

Systemtic Name: 2-acetamidoethyl N-[(2S)-1-[[(2S,3R)-1-[3,5-bis(fluoranyl)phenyl]-4-(cyclopropylamino)-3-oxidanyl-butan-2-yl]amino]-3-heptan-4-ylsulfonyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: 2-acetamidoethyl N-[(1S)-2-[[(1S,2R)-3-(cyclopropylamino)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-propyl]amino]-2-oxo-1-(1-propylbutylsulfonylmethyl)ethyl]carbamate CAS Name: N-[(2S)-1-[[(2S,3R)-4-(cyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]amino]-3-heptan-4-ylsulfonyl-1-oxopropan-2-yl]carbamic acid 2-acetamidoethyl ester IUPAC Name: 2-acetamidoethyl N-[(2S)-1-[[(2S,3R)-4-(cyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]amino]-3-heptan-4-ylsulfonyl-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1S,2R)-3-(cyclopropylamino)-1-(3,5-difluorobenzyl)-2-hydroxy-propyl]amino]-2-keto-1-(1-propylbutylsulfonylmethyl)ethyl]carbamic acid 2-acetamidoethyl ester Formula: C28H44F2N4O7S MolecularWeight: 618.733366

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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(CNC2CC2)O)NC(=O)OCCNC(=O)C

Isomeric SMILES

CCCC(CCC)S(=O)(=O)C[C@H](C(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CNC2CC2)O)NC(=O)OCCNC(=O)C

InChI

InChI=1S/C28H44F2N4O7S/c1-4-6-23(7-5-2)42(39,40)17-25(34-28(38)41-11-10-31-18(3)35)27(37)33-24(26(36)16-32-22-8-9-22)14-19-12-20(29)15-21(30)13-19/h12-13,15,22-26,32,36H,4-11,14,16-17H2,1-3H3,(H,31,35)(H,33,37)(H,34,38)/t24-,25+,26+/m0/s1