(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-pyridin-4-yl-propanoyl]amino]-N-[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-pyridin-4-yl-propanoyl]amino]-3-methyl-butanoyl]amino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]-3-methyl-butanamide

Systemtic Name: (2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-pyridin-4-yl-propanoyl]amino]-N-[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-pyridin-4-yl-propanoyl]amino]-3-methyl-butanoyl]amino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]-3-methyl-butanamide Openeye Name: (2S)-N-[(1S,2R,3R,4S)-1-benzyl-4-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(4-pyridyl)propanoyl]amino]-3-methyl-butanoyl]amino]-2,3-dihydroxy-5-phenyl-pentyl]-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(4-pyridyl)propanoyl]amino]-3-methyl-butanamide CAS Name: (2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-1-oxo-3-pyridin-4-ylpropyl]amino]-N-[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-1-oxo-3-pyridin-4-ylpropyl]amino]-3-methyl-1-oxobutyl]amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]-3-methylbutanamide IUPAC Name: (2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-pyridin-4-ylpropanoyl]amino]-N-[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-pyridin-4-ylpropanoyl]amino]-3-methylbutanoyl]amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]-3-methylbutanamide Traditional Name: (2S)-N-[(1S,2R,3R,4S)-1-benzyl-4-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(4-pyridyl)propanoyl]amino]-3-methyl-butanoyl]amino]-2,3-dihydroxy-5-phenyl-pentyl]-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(4-pyridyl)propanoyl]amino]-3-methyl-butyramide Formula: C54H76N6O10S2 MolecularWeight: 1033.34544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(C(C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)C(CC3=CC=NC=C3)CS(=O)(=O)C(C)(C)C)O)O)NC(=O)C(CC4=CC=NC=C4)CS(=O)(=O)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=NC=C3)CS(=O)(=O)C(C)(C)C)O)O)NC(=O)[C@H](CC4=CC=NC=C4)CS(=O)(=O)C(C)(C)C

InChI

InChI=1S/C54H76N6O10S2/c1-35(2)45(59-49(63)41(29-39-21-25-55-26-22-39)33-71(67,68)53(5,6)7)51(65)57-43(31-37-17-13-11-14-18-37)47(61)48(62)44(32-38-19-15-12-16-20-38)58-52(66)46(36(3)4)60-50(64)42(30-40-23-27-56-28-24-40)34-72(69,70)54(8,9)10/h11-28,35-36,41-48,61-62H,29-34H2,1-10H3,(H,57,65)(H,58,66)(H,59,63)(H,60,64)/t41-,42-,43+,44+,45+,46+,47-,48-/m1/s1