tert-butyl (3S)-3-aminocarbonyl-4-[2-[[4-azanyl-2,6-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-aminocarbonyl-4-[2-[[4-azanyl-2,6-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl (3S)-4-[2-(4-amino-2,6-dichloro-anilino)-2-oxo-ethyl]-3-carbamoyl-piperazine-1-carboxylate CAS Name: (3S)-4-[2-(4-amino-2,6-dichloroanilino)-2-oxoethyl]-3-carbamoyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-[2-(4-amino-2,6-dichloroanilino)-2-oxoethyl]-3-carbamoylpiperazine-1-carboxylate Traditional Name: (3S)-4-[2-(4-amino-2,6-dichloro-anilino)-2-keto-ethyl]-3-carbamoyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25Cl2N5O4 MolecularWeight: 446.3282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)N)CC(=O)NC2=C(C=C(C=C2Cl)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN([C@@H](C1)C(=O)N)CC(=O)NC2=C(C=C(C=C2Cl)N)Cl

InChI

InChI=1S/C18H25Cl2N5O4/c1-18(2,3)29-17(28)25-5-4-24(13(8-25)16(22)27)9-14(26)23-15-11(19)6-10(21)7-12(15)20/h6-7,13H,4-5,8-9,21H2,1-3H3,(H2,22,27)(H,23,26)/t13-/m0/s1