(2S)-2-[[(2S)-2-[[(2S)-2-[2-[2-[[4-[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanamide

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[2-[[4-[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanamide Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[2-[[4-[2-[[2-[[(1S)-1-benzyl-2-[[(1S)-1-benzyl-2-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]ethylamino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanamide CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[2-[[4-[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthracenyl]amino]ethylamino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanamide IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[2-[[4-[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethylamino]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[2-[[4-[2-[[2-[[(1S)-1-benzyl-2-[[(1S)-1-benzyl-2-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]amino]ethylamino]-5,8-dihydroxy-9,10-diketo-1-anthryl]amino]ethylamino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeramide Formula: C70H84N12O12 MolecularWeight: 1285.48916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNCCNC3=C4C(=C(C=C3)NCCNCC(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC(C)C)C(=O)N)C(=O)C7=C(C=CC(=C7C4=O)O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNCCNC3=C4C(=C(C=C3)NCCNCC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC(C)C)C(=O)N)C(=O)C7=C(C=CC(=C7C4=O)O)O

InChI

InChI=1S/C70H84N12O12/c1-41(2)33-49(65(71)89)79-69(93)53(37-45-21-13-7-14-22-45)81-67(91)51(35-43-17-9-5-10-18-43)77-57(85)39-73-29-31-75-47-25-26-48(60-59(47)63(87)61-55(83)27-28-56(84)62(61)64(60)88)76-32-30-74-40-58(86)78-52(36-44-19-11-6-12-20-44)68(92)82-54(38-46-23-15-8-16-24-46)70(94)80-50(66(72)90)34-42(3)4/h5-28,41-42,49-54,73-76,83-84H,29-40H2,1-4H3,(H2,71,89)(H2,72,90)(H,77,85)(H,78,86)(H,79,93)(H,80,94)(H,81,91)(H,82,92)/t49-,50-,51-,52-,53-,54-/m0/s1