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

Systemtic Name: (2S)-N-[(2S,3R)-1-[3,5-bis(fluoranyl)phenyl]-4-[(3-ethylphenyl)methylamino]-3-oxidanyl-butan-2-yl]-3-heptan-4-ylsulfonyl-2-(3-methoxypropanoylamino)propanamide Openeye Name: (2S)-N-[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-3-[(3-ethylphenyl)methylamino]-2-hydroxy-propyl]-2-(3-methoxypropanoylamino)-3-(1-propylbutylsulfonyl)propanamide CAS Name: (2S)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-3-heptan-4-ylsulfonyl-2-[(3-methoxy-1-oxopropyl)amino]propanamide IUPAC Name: (2S)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-3-heptan-4-ylsulfonyl-2-(3-methoxypropanoylamino)propanamide Traditional Name: (2S)-N-[(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxy-propyl]-2-(3-methoxypropanoylamino)-3-(1-propylbutylsulfonyl)propionamide 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)CCOC

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)CCOC

InChI

InChI=1S/C33H49F2N3O6S/c1-5-9-28(10-6-2)45(42,43)22-30(37-32(40)13-14-44-4)33(41)38-29(18-25-16-26(34)19-27(35)17-25)31(39)21-36-20-24-12-8-11-23(7-3)15-24/h8,11-12,15-17,19,28-31,36,39H,5-7,9-10,13-14,18,20-22H2,1-4H3,(H,37,40)(H,38,41)/t29-,30+,31+/m0/s1