1-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-4-methyl-2-(3-propan-2-yloxyphenyl)sulfonyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-4-methyl-2-(3-propan-2-yloxyphenyl)sulfonyl-piperidine-2-carboxylic acid Openeye Name: 1-(2-amino-5-guanidino-pentanoyl)-2-(3-isopropoxyphenyl)sulfonyl-4-methyl-piperidine-2-carboxylic acid CAS Name: 1-[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-4-methyl-2-(3-propan-2-yloxyphenyl)sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 1-[2-amino-5-(diaminomethylideneamino)pentanoyl]-4-methyl-2-(3-propan-2-yloxyphenyl)sulfonylpiperidine-2-carboxylic acid Traditional Name: 1-(2-amino-5-guanidino-pentanoyl)-2-(3-isopropoxyphenyl)sulfonyl-4-methyl-pipecolinic acid Formula: C22H35N5O6S MolecularWeight: 497.6082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)(C(=O)O)S(=O)(=O)C2=CC=CC(=C2)OC(C)C)C(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC1CCN(C(C1)(C(=O)O)S(=O)(=O)C2=CC=CC(=C2)OC(C)C)C(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C22H35N5O6S/c1-14(2)33-16-6-4-7-17(12-16)34(31,32)22(20(29)30)13-15(3)9-11-27(22)19(28)18(23)8-5-10-26-21(24)25/h4,6-7,12,14-15,18H,5,8-11,13,23H2,1-3H3,(H,29,30)(H4,24,25,26)