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

Systemtic Name: (2S)-2-(tert-butylsulfonylmethyl)-N-[3-[[(2S,3R,4R,5S)-5-[3-[[(2S)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]propanoylamino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]amino]-3-oxidanylidene-propyl]-3-naphthalen-1-yl-propanamide Openeye Name: (2S)-N-[3-[[(1S,2R,3R,4S)-1-benzyl-4-[3-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]propanoylamino]-2,3-dihydroxy-5-phenyl-pentyl]amino]-3-oxo-propyl]-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanamide CAS Name: (2S)-2-(tert-butylsulfonylmethyl)-N-[3-[[(2S,3R,4R,5S)-5-[[3-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]amino]-3-oxopropyl]-3-(1-naphthalenyl)propanamide IUPAC Name: (2S)-2-(tert-butylsulfonylmethyl)-N-[3-[[(2S,3R,4R,5S)-5-[3-[[(2S)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]propanoylamino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]amino]-3-oxopropyl]-3-naphthalen-1-ylpropanamide Traditional Name: (2S)-N-[3-[[(1S,2R,3R,4S)-1-benzyl-4-[3-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]propanoylamino]-2,3-dihydroxy-5-phenyl-pentyl]amino]-3-keto-propyl]-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propionamide Formula: C60H74N4O10S2 MolecularWeight: 1075.38036

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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)NCCC(=O)NC(CC3=CC=CC=C3)C(C(C(CC4=CC=CC=C4)NC(=O)CCNC(=O)C(CC5=CC=CC6=CC=CC=C65)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)NCCC(=O)N[C@@H](CC3=CC=CC=C3)[C@H]([C@@H]([C@H](CC4=CC=CC=C4)NC(=O)CCNC(=O)[C@H](CC5=CC=CC6=CC=CC=C65)CS(=O)(=O)C(C)(C)C)O)O

InChI

InChI=1S/C60H74N4O10S2/c1-59(2,3)75(71,72)39-47(37-45-27-17-25-43-23-13-15-29-49(43)45)57(69)61-33-31-53(65)63-51(35-41-19-9-7-10-20-41)55(67)56(68)52(36-42-21-11-8-12-22-42)64-54(66)32-34-62-58(70)48(40-76(73,74)60(4,5)6)38-46-28-18-26-44-24-14-16-30-50(44)46/h7-30,47-48,51-52,55-56,67-68H,31-40H2,1-6H3,(H,61,69)(H,62,70)(H,63,65)(H,64,66)/t47-,48-,51+,52+,55-,56-/m1/s1