2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-3-diphenylphosphinothioyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]-3-diphenylphosphinothioyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-N-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide

Systemtic Name: 2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-3-diphenylphosphinothioyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]-3-diphenylphosphinothioyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-N-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide Openeye Name: 2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-3-diphenylphosphinothioyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]-3-diphenylphosphinothioyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-2-methyl-propanamide CAS Name: 2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamido-1-oxopropyl]amino]-2-methyl-1-oxopropyl]amino]-1-oxopropyl]amino]-3-diphenylphosphinothioyl-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-2-methyl-1-oxopropyl]amino]-3-diphenylphosphinothioyl-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-methylpropanamide IUPAC Name: 2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-3-diphenylphosphinothioylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-diphenylphosphinothioylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-methylpropanamide Traditional Name: 2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-3-diphenylthiophosphoryl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]-3-diphenylthiophosphoryl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-N-[(1S)-2-amino-2-keto-1-methyl-ethyl]-2-methyl-propionamide Formula: C65H89N13O13P2S2 MolecularWeight: 1386.558982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CP(=S)(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CP(=S)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CP(=S)(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CP(=S)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C

InChI

InChI=1S/C65H89N13O13P2S2/c1-37(51(66)80)72-60(89)63(9,10)77-56(85)42(6)68-53(82)39(3)71-59(88)50(36-93(95,47-31-23-17-24-32-47)48-33-25-18-26-34-48)75-62(91)65(13,14)78-57(86)43(7)69-52(81)38(2)70-58(87)49(35-92(94,45-27-19-15-20-28-45)46-29-21-16-22-30-46)74-54(83)40(4)73-61(90)64(11,12)76-55(84)41(5)67-44(8)79/h15-34,37-43,49-50H,35-36H2,1-14H3,(H2,66,80)(H,67,79)(H,68,82)(H,69,81)(H,70,87)(H,71,88)(H,72,89)(H,73,90)(H,74,83)(H,75,91)(H,76,84)(H,77,85)(H,78,86)/t37-,38-,39-,40-,41-,42-,43-,49-,50-/m0/s1