(2S,5S)-5-azanyl-2-[[(3S,4S,5S,6S)-3-[bis(chloranyl)methyl]-3-methyl-1,5,6-tris(oxidanyl)-8-oxidanylidene-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]amino]-4-oxidanylidene-hexanamide

Systemtic Name: (2S,5S)-5-azanyl-2-[[(3S,4S,5S,6S)-3-[bis(chloranyl)methyl]-3-methyl-1,5,6-tris(oxidanyl)-8-oxidanylidene-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]amino]-4-oxidanylidene-hexanamide Openeye Name: (2S,5S)-5-amino-2-[[(3S,4S,5S,6S)-3-(dichloromethyl)-1,5,6-trihydroxy-3-methyl-8-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]amino]-4-oxo-hexanamide CAS Name: (2S,5S)-5-amino-2-[[(3S,4S,5S,6S)-3-(dichloromethyl)-1,5,6-trihydroxy-3-methyl-8-oxo-4a,5,6,7-tetrahydro-4H-2-benzopyran-4-yl]amino]-4-oxohexanamide IUPAC Name: (2S,5S)-5-amino-2-[[(3S,4S,5S,6S)-3-(dichloromethyl)-1,5,6-trihydroxy-3-methyl-8-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]amino]-4-oxohexanamide Traditional Name: (2S,5S)-5-amino-2-[[(3S,4S,5S,6S)-3-(dichloromethyl)-1,5,6-trihydroxy-8-keto-3-methyl-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]amino]-4-keto-hexanamide Formula: C17H25Cl2N3O7 MolecularWeight: 454.3023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CC(C(=O)N)NC1C2C(C(CC(=O)C2=C(OC1(C)C(Cl)Cl)O)O)O)N

Isomeric SMILES

C[C@@H](C(=O)C[C@@H](C(=O)N)N[C@H]1C2[C@@H]([C@H](CC(=O)C2=C(O[C@]1(C)C(Cl)Cl)O)O)O)N

InChI

InChI=1S/C17H25Cl2N3O7/c1-5(20)7(23)3-6(14(21)27)22-13-11-10(8(24)4-9(25)12(11)26)15(28)29-17(13,2)16(18)19/h5-6,9,11-13,16,22,25-26,28H,3-4,20H2,1-2H3,(H2,21,27)/t5-,6-,9-,11?,12+,13-,17-/m0/s1