(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[6-[(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]sulfonylnaphthalen-2-yl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[6-[(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]sulfonylnaphthalen-2-yl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-2-carboxamide Openeye Name: (2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[6-[(3S)-4-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-tetralin-1-yl]carbamoyl]piperazin-1-yl]sulfonyl-2-naphthyl]sulfonyl]-N-[(1R)-tetralin-1-yl]piperazine-2-carboxamide CAS Name: (2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-4-[[6-[[(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]-2-naphthalenyl]sulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-piperazinecarboxamide IUPAC Name: (2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[6-[(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]sulfonylnaphthalen-2-yl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-2-carboxamide Traditional Name: (2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[6-[(3S)-4-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-tetralin-1-yl]carbamoyl]piperazino]sulfonyl-2-naphthyl]sulfonyl]-N-[(1R)-tetralin-1-yl]piperazine-2-carboxamide Formula: C60H82N10O10S2 MolecularWeight: 1167.48408

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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=CC5=C(C=C4)C=C(C=C5)S(=O)(=O)N6CCN(C(C6)C(=O)NC7CCCC8=CC=CC=C78)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=CC5=C(C=C4)C=C(C=C5)S(=O)(=O)N6CCN([C@@H](C6)C(=O)N[C@@H]7CCCC8=CC=CC=C78)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(C)(C)C)NC

InChI

InChI=1S/C60H82N10O10S2/c1-37(61-9)53(71)65-51(59(3,4)5)57(75)69-31-29-67(35-49(69)55(73)63-47-23-15-19-39-17-11-13-21-45(39)47)81(77,78)43-27-25-42-34-44(28-26-41(42)33-43)82(79,80)68-30-32-70(58(76)52(60(6,7)8)66-54(72)38(2)62-10)50(36-68)56(74)64-48-24-16-20-40-18-12-14-22-46(40)48/h11-14,17-18,21-22,25-28,33-34,37-38,47-52,61-62H,15-16,19-20,23-24,29-32,35-36H2,1-10H3,(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t37-,38-,47+,48+,49-,50-,51+,52+/m0/s1