(2R)-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[3-(4-azanylbutylamino)propylamino]-3-phenyl-propan-2-yl]amino]-2-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2S)-2-[[2-[[2-[[(2S)-2-(2-ethanoylhydrazinyl)-3-phenyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-2-methyl-butanamide

Systemtic Name: (2R)-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[3-(4-azanylbutylamino)propylamino]-3-phenyl-propan-2-yl]amino]-2-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2S)-2-[[2-[[2-[[(2S)-2-(2-ethanoylhydrazinyl)-3-phenyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-2-methyl-butanamide Openeye Name: (2R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-(2-acetylhydrazino)-3-phenyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-N-[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[3-(4-aminobutylamino)propylamino]methyl]-2-phenyl-ethyl]carbamoyl]-1-methyl-propyl]amino]-1-benzyl-2-oxo-ethyl]amino]-2-oxo-ethyl]-2-methyl-butanamide CAS Name: (2R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-(acetylhydrazo)-1-oxo-3-phenylpropyl]amino]-2-methyl-1-oxopropyl]amino]-2-methyl-1-oxopropyl]amino]-1-oxopropyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[3-(4-aminobutylamino)propylamino]-3-phenylpropan-2-yl]amino]-2-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-methylbutanamide IUPAC Name: (2R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-(2-acetylhydrazinyl)-3-phenylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[3-(4-aminobutylamino)propylamino]-3-phenylpropan-2-yl]amino]-2-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-methylbutanamide Traditional Name: (2R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-(N'-acetylhydrazino)-3-phenyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-N-[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[3-(4-aminobutylamino)propylamino]methyl]-2-phenyl-ethyl]carbamoyl]-1-methyl-propyl]amino]-1-benzyl-2-keto-ethyl]amino]-2-keto-ethyl]-2-methyl-butyramide Formula: C59H91N13O9 MolecularWeight: 1126.43554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)(CC)C(=O)NC(CC2=CC=CC=C2)CNCCCNCCCCN)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC3=CC=CC=C3)NNC(=O)C

Isomeric SMILES

CC[C@](C)(C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@](C)(CC)C(=O)N[C@@H](CC2=CC=CC=C2)CNCCCNCCCCN)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](CC3=CC=CC=C3)NNC(=O)C

InChI

InChI=1S/C59H91N13O9/c1-11-58(9,68-49(75)40(3)64-52(78)56(5,6)70-53(79)57(7,8)67-51(77)47(72-71-41(4)73)37-44-29-20-15-21-30-44)54(80)63-39-48(74)66-46(36-43-27-18-14-19-28-43)50(76)69-59(10,12-2)55(81)65-45(35-42-25-16-13-17-26-42)38-62-34-24-33-61-32-23-22-31-60/h13-21,25-30,40,45-47,61-62,72H,11-12,22-24,31-39,60H2,1-10H3,(H,63,80)(H,64,78)(H,65,81)(H,66,74)(H,67,77)(H,68,75)(H,69,76)(H,70,79)(H,71,73)/t40-,45-,46-,47-,58+,59-/m0/s1