2-anthracen-2-ylsulfonyl-1-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-4-methyl-piperidine-2-carboxylic acid

Systemtic Name: 2-anthracen-2-ylsulfonyl-1-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-4-methyl-piperidine-2-carboxylic acid Openeye Name: 1-(2-amino-5-guanidino-pentanoyl)-2-(2-anthrylsulfonyl)-4-methyl-piperidine-2-carboxylic acid CAS Name: 1-[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-2-(2-anthracenylsulfonyl)-4-methyl-2-piperidinecarboxylic acid IUPAC Name: 1-[2-amino-5-(diaminomethylideneamino)pentanoyl]-2-anthracen-2-ylsulfonyl-4-methylpiperidine-2-carboxylic acid Traditional Name: 1-(2-amino-5-guanidino-pentanoyl)-2-(2-anthrylsulfonyl)-4-methyl-pipecolinic acid Formula: C27H33N5O5S MolecularWeight: 539.64642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)(C(=O)O)S(=O)(=O)C2=CC3=CC4=CC=CC=C4C=C3C=C2)C(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC1CCN(C(C1)(C(=O)O)S(=O)(=O)C2=CC3=CC4=CC=CC=C4C=C3C=C2)C(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C27H33N5O5S/c1-17-10-12-32(24(33)23(28)7-4-11-31-26(29)30)27(16-17,25(34)35)38(36,37)22-9-8-20-13-18-5-2-3-6-19(18)14-21(20)15-22/h2-3,5-6,8-9,13-15,17,23H,4,7,10-12,16,28H2,1H3,(H,34,35)(H4,29,30,31)