(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[5-[(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]carbonylthiophen-2-yl]carbonyl-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-[5-[(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]carbonylthiophen-2-yl]carbonyl-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-[5-[(3S)-4-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-tetralin-1-yl]carbamoyl]piperazine-1-carbonyl]thiophene-2-carbonyl]-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-[[5-[[(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]-oxomethyl]-2-thiophenyl]-oxomethyl]-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-[5-[(3S)-4-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazine-1-carbonyl]thiophene-2-carbonyl]-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-[5-[(3S)-4-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-tetralin-1-yl]carbamoyl]piperazine-1-carbonyl]thiophene-2-carbonyl]-N-[(1R)-tetralin-1-yl]piperazine-2-carboxamide Formula: C56H78N10O8S MolecularWeight: 1051.34572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C(=O)N1CCN(CC1C(=O)NC2CCCC3=CC=CC=C23)C(=O)C4=CC=C(S4)C(=O)N5CCN(C(C5)C(=O)NC6CCCC7=CC=CC=C67)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)C(=O)C4=CC=C(S4)C(=O)N5CCN([C@@H](C5)C(=O)N[C@@H]6CCCC7=CC=CC=C67)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(C)(C)C)NC

InChI

InChI=1S/C56H78N10O8S/c1-33(57-9)47(67)61-45(55(3,4)5)53(73)65-29-27-63(31-41(65)49(69)59-39-23-15-19-35-17-11-13-21-37(35)39)51(71)43-25-26-44(75-43)52(72)64-28-30-66(54(74)46(56(6,7)8)62-48(68)34(2)58-10)42(32-64)50(70)60-40-24-16-20-36-18-12-14-22-38(36)40/h11-14,17-18,21-22,25-26,33-34,39-42,45-46,57-58H,15-16,19-20,23-24,27-32H2,1-10H3,(H,59,69)(H,60,70)(H,61,67)(H,62,68)/t33-,34-,39+,40+,41-,42-,45+,46+/m0/s1