(2S)-2-acetamido-4-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-[5-nitro-1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-3-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]pentanamide

Systemtic Name: (2S)-2-acetamido-4-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-[5-nitro-1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-3-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]pentanamide Openeye Name: (2S)-2-acetamido-4-methyl-N-[(1S)-1-methyl-2-[[(1S)-1-methyl-2-[[(1S)-3-(5-nitro-1,4-dioxo-3H-phthalazin-2-yl)-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]propyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]pentanamide CAS Name: (2S)-2-acetamido-4-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-(5-nitro-1,4-dioxo-3H-phthalazin-2-yl)-3-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]butan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide IUPAC Name: (2S)-2-acetamido-4-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-(5-nitro-1,4-dioxo-3H-phthalazin-2-yl)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide Traditional Name: (2S)-2-acetamido-N-[(1S)-2-[[(1S)-2-[[(1S)-3-(1,4-diketo-5-nitro-3H-phthalazin-2-yl)-2-keto-1-[[(3S)-2-ketopyrrolidin-3-yl]methyl]propyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethyl]-4-methyl-valeramide Formula: C30H40N8O10 MolecularWeight: 672.6862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC1CCNC1=O)C(=O)CN2C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)N2)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CN2C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)N2)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C

InChI

InChI=1S/C30H40N8O10/c1-14(2)11-21(34-17(5)39)28(44)33-15(3)25(41)32-16(4)26(42)35-20(12-18-9-10-31-27(18)43)23(40)13-37-30(46)19-7-6-8-22(38(47)48)24(19)29(45)36-37/h6-8,14-16,18,20-21H,9-13H2,1-5H3,(H,31,43)(H,32,41)(H,33,44)(H,34,39)(H,35,42)(H,36,45)/t15-,16-,18-,20-,21-/m0/s1