N1,N4-bis[2-[(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]-2-oxidanylidene-ethyl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[2-[(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]-2-oxidanylidene-ethyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[2-[(3S)-4-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-tetralin-1-yl]carbamoyl]piperazin-1-yl]-2-oxo-ethyl]terephthalamide CAS Name: N1,N4-bis[2-[(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]-2-oxoethyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[2-[(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]-2-oxoethyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[2-[(3S)-4-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-tetralin-1-yl]carbamoyl]piperazino]-2-keto-ethyl]terephthalamide Formula: C62H86N12O10 MolecularWeight: 1159.42064

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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)CNC(=O)C4=CC=C(C=C4)C(=O)NCC(=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)CNC(=O)C4=CC=C(C=C4)C(=O)NCC(=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/C62H86N12O10/c1-37(63-9)53(77)69-51(61(3,4)5)59(83)73-31-29-71(35-47(73)57(81)67-45-23-15-19-39-17-11-13-21-43(39)45)49(75)33-65-55(79)41-25-27-42(28-26-41)56(80)66-34-50(76)72-30-32-74(60(84)52(62(6,7)8)70-54(78)38(2)64-10)48(36-72)58(82)68-46-24-16-20-40-18-12-14-22-44(40)46/h11-14,17-18,21-22,25-28,37-38,45-48,51-52,63-64H,15-16,19-20,23-24,29-36H2,1-10H3,(H,65,79)(H,66,80)(H,67,81)(H,68,82)(H,69,77)(H,70,78)/t37-,38-,45+,46+,47-,48-,51+,52+/m0/s1