(2S)-2-(tert-butylsulfonylmethyl)-N-[(1S)-2-[[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]-2-cyclopentyl-ethanoyl]amino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]amino]-1-cyclopentyl-2-oxidanylidene-ethyl]-3-naphthalen-1-yl-propanamide

Systemtic Name: (2S)-2-(tert-butylsulfonylmethyl)-N-[(1S)-2-[[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]-2-cyclopentyl-ethanoyl]amino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]amino]-1-cyclopentyl-2-oxidanylidene-ethyl]-3-naphthalen-1-yl-propanamide Openeye Name: (2S)-N-[(1S)-2-[[(1S,2R,3R,4S)-1-benzyl-4-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-2-cyclopentyl-acetyl]amino]-2,3-dihydroxy-5-phenyl-pentyl]amino]-1-cyclopentyl-2-oxo-ethyl]-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanamide CAS Name: (2S)-2-(tert-butylsulfonylmethyl)-N-[(1S)-2-[[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]-2-cyclopentyl-1-oxoethyl]amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]-3-(1-naphthalenyl)propanamide IUPAC Name: (2S)-2-(tert-butylsulfonylmethyl)-N-[(1S)-2-[[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]-2-cyclopentylacetyl]amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]-3-naphthalen-1-ylpropanamide Traditional Name: (2S)-N-[(1S)-2-[[(1S,2R,3R,4S)-1-benzyl-4-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-2-cyclopentyl-acetyl]amino]-2,3-dihydroxy-5-phenyl-pentyl]amino]-1-cyclopentyl-2-keto-ethyl]-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propionamide Formula: C68H86N4O10S2 MolecularWeight: 1183.56124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CC(CC1=CC=CC2=CC=CC=C21)C(=O)NC(C3CCCC3)C(=O)NC(CC4=CC=CC=C4)C(C(C(CC5=CC=CC=C5)NC(=O)C(C6CCCC6)NC(=O)C(CC7=CC=CC8=CC=CC=C87)CS(=O)(=O)C(C)(C)C)O)O

Isomeric SMILES

CC(C)(C)S(=O)(=O)C[C@@H](CC1=CC=CC2=CC=CC=C21)C(=O)N[C@@H](C3CCCC3)C(=O)N[C@@H](CC4=CC=CC=C4)[C@H]([C@@H]([C@H](CC5=CC=CC=C5)NC(=O)[C@H](C6CCCC6)NC(=O)[C@H](CC7=CC=CC8=CC=CC=C87)CS(=O)(=O)C(C)(C)C)O)O

InChI

InChI=1S/C68H86N4O10S2/c1-67(2,3)83(79,80)43-53(41-51-35-21-33-47-27-17-19-37-55(47)51)63(75)71-59(49-29-13-14-30-49)65(77)69-57(39-45-23-9-7-10-24-45)61(73)62(74)58(40-46-25-11-8-12-26-46)70-66(78)60(50-31-15-16-32-50)72-64(76)54(44-84(81,82)68(4,5)6)42-52-36-22-34-48-28-18-20-38-56(48)52/h7-12,17-28,33-38,49-50,53-54,57-62,73-74H,13-16,29-32,39-44H2,1-6H3,(H,69,77)(H,70,78)(H,71,75)(H,72,76)/t53-,54-,57+,58+,59+,60+,61-,62-/m1/s1