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

Systemtic Name: 2-cyanoethyl N-[1-[[(2S,3R)-1-[3,5-bis(fluoranyl)phenyl]-4-[(3-ethylphenyl)methylamino]-3-oxidanyl-butan-2-yl]amino]-3-butylsulfonyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: 2-cyanoethyl N-[1-(butylsulfonylmethyl)-2-[[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-3-[(3-ethylphenyl)methylamino]-2-hydroxy-propyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[3-butylsulfonyl-1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl N-[3-butylsulfonyl-1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-(butylsulfonylmethyl)-2-[[(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxy-propyl]amino]-2-keto-ethyl]carbamic acid 2-cyanoethyl ester Formula: C30H40F2N4O6S MolecularWeight: 622.723606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(C(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNCC2=CC=CC(=C2)CC)O)NC(=O)OCCC#N

Isomeric SMILES

CCCCS(=O)(=O)CC(C(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CNCC2=CC=CC(=C2)CC)O)NC(=O)OCCC#N

InChI

InChI=1S/C30H40F2N4O6S/c1-3-5-12-43(40,41)20-27(36-30(39)42-11-7-10-33)29(38)35-26(16-23-14-24(31)17-25(32)15-23)28(37)19-34-18-22-9-6-8-21(4-2)13-22/h6,8-9,13-15,17,26-28,34,37H,3-5,7,11-12,16,18-20H2,1-2H3,(H,35,38)(H,36,39)/t26-,27?,28+/m0/s1