[1-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl]piperidin-2-yl] hydrogen carbonate

Systemtic Name: [1-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl]piperidin-2-yl] hydrogen carbonate Openeye Name: [1-(2-amino-5-guanidino-pentanoyl)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl]-2-piperidyl] hydrogen carbonate CAS Name: carbonic acid [1-[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl]-2-piperidinyl] ester IUPAC Name: [1-[2-amino-5-(diaminomethylideneamino)pentanoyl]-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl]piperidin-2-yl] hydrogen carbonate Traditional Name: carbonic acid [1-(2-amino-5-guanidino-pentanoyl)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl]-2-piperidyl] ester Formula: C22H34N6O6S MolecularWeight: 510.60696

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=CC=C2)S(=O)(=O)C3(CCCCN3C(=O)C(CCCN=C(N)N)N)OC(=O)O)NC1

Isomeric SMILES

CC1CC2=C(C(=CC=C2)S(=O)(=O)C3(CCCCN3C(=O)C(CCCN=C(N)N)N)OC(=O)O)NC1

InChI

InChI=1S/C22H34N6O6S/c1-14-12-15-6-4-8-17(18(15)27-13-14)35(32,33)22(34-21(30)31)9-2-3-11-28(22)19(29)16(23)7-5-10-26-20(24)25/h4,6,8,14,16,27H,2-3,5,7,9-13,23H2,1H3,(H,30,31)(H4,24,25,26)