(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]carbonylpyridin-2-yl]carbonyl-N-[(2S)-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-[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]carbonylpyridin-2-yl]carbonyl-N-[(2S)-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-[6-[(3S)-4-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-tetralin-1-yl]carbamoyl]piperazine-1-carbonyl]pyridine-2-carbonyl]-N-[(2S)-tetralin-2-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]-oxomethyl]-2-pyridinyl]-oxomethyl]-N-[(2S)-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-[6-[(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]pyridine-2-carbonyl]-N-[(2S)-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-[6-[(3S)-4-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-tetralin-1-yl]carbamoyl]piperazine-1-carbonyl]picolinoyl]-N-[(2S)-tetralin-2-yl]piperazine-2-carboxamide Formula: C57H79N11O8 MolecularWeight: 1046.30606

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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=NC(=CC=C4)C(=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)C(=O)C4=NC(=CC=C4)C(=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/C57H79N11O8/c1-34(58-9)48(69)63-46(56(3,4)5)54(75)67-29-27-65(32-44(67)50(71)60-39-26-25-36-17-11-12-19-38(36)31-39)52(73)42-23-16-24-43(61-42)53(74)66-28-30-68(55(76)47(57(6,7)8)64-49(70)35(2)59-10)45(33-66)51(72)62-41-22-15-20-37-18-13-14-21-40(37)41/h11-14,16-19,21,23-24,34-35,39,41,44-47,58-59H,15,20,22,25-33H2,1-10H3,(H,60,71)(H,62,72)(H,63,69)(H,64,70)/t34-,35-,39-,41+,44-,45-,46+,47+/m0/s1