(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[3-[(3S)-4-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]sulfonylphenyl]sulfonyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[3-[(3S)-4-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]sulfonylphenyl]sulfonyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-2-carboxamide Openeye Name: (2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[3-[(3S)-4-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-tetralin-1-yl]carbamoyl]piperazin-1-yl]sulfonylphenyl]sulfonyl-N-[(2R)-tetralin-2-yl]piperazine-2-carboxamide CAS Name: (2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-4-[3-[[(3S)-4-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-3-[oxo-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-1-piperazinyl]sulfonyl]phenyl]sulfonyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-piperazinecarboxamide IUPAC Name: (2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[3-[(3S)-4-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]sulfonylphenyl]sulfonyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-2-carboxamide Traditional Name: (2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[3-[(3S)-4-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-tetralin-1-yl]carbamoyl]piperazino]sulfonylphenyl]sulfonyl-N-[(2R)-tetralin-2-yl]piperazine-2-carboxamide Formula: C56H80N10O10S2 MolecularWeight: 1117.4254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C(=O)N1CCN(CC1C(=O)NC2CCCC3=CC=CC=C23)S(=O)(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCN(C(C5)C(=O)NC6CCC7=CC=CC=C7C6)C(=O)C(C(C)(C)C)NC(=O)C(C)NC)C(C)(C)C)NC

Isomeric SMILES

C[C@@H](C(=O)N[C@H](C(=O)N1CCN(C[C@H]1C(=O)N[C@@H]2CCCC3=CC=CC=C23)S(=O)(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCN([C@@H](C5)C(=O)N[C@@H]6CCC7=CC=CC=C7C6)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(C)(C)C)NC

InChI

InChI=1S/C56H80N10O10S2/c1-35(57-9)49(67)61-47(55(3,4)5)53(71)65-29-27-63(33-45(65)51(69)59-40-26-25-37-17-11-12-19-39(37)31-40)77(73,74)41-21-16-22-42(32-41)78(75,76)64-28-30-66(54(72)48(56(6,7)8)62-50(68)36(2)58-10)46(34-64)52(70)60-44-24-15-20-38-18-13-14-23-43(38)44/h11-14,16-19,21-23,32,35-36,40,44-48,57-58H,15,20,24-31,33-34H2,1-10H3,(H,59,69)(H,60,70)(H,61,67)(H,62,68)/t35-,36-,40+,44+,45-,46-,47+,48+/m0/s1