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  5. N-[(3R,6S,9S,12R)-9-[3-(diaminomethylideneamino)propyl]-6-ethyl-12-methyl-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetrazacyclohexadec-12-yl]-2-methylpropanamide

N-[(3R,6S,9S,12R)-9-[3-(diaminomethylideneamino)propyl]-6-ethyl-12-methyl-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetrazacyclohexadec-12-yl]-2-methylpropanamide

N-[(3R,6S,9S,12R)-9-[3-(diaminomethylideneamino)propyl]-6-ethyl-12-methyl-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetrazacyclohexadec-12-yl]-2-methylpropanamide contains a macrocyclic tetrazacycle that rigidifies the backbone while preserving multiple hydrogen-bond donors and acceptors. Guanidinium and amide functionalities support strong electrostatic and polar interactions. Researchers evaluate ring conformation, metal coordination, and binding-site complementarity. Applications span supramolecular chemistry, ligand-scaffold design, and advanced peptide-mimetic studies.

Designed for biological research and industrial applications, not intended for individual clinical or medical purposes.
N-[(3R,6S,9S,12R)-9-[3-(diaminomethylideneamino)propyl]-6-ethyl-12-methyl-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetrazacyclohexadec-12-yl]-2-methylpropanamide(CAS 1442106-10-6)

CAT No: R2708

CAS No:1442106-10-6

Synonyms/Alias:1442106-10-6;MM-401;CHEMBL3798088;isobutyryl-D-aMeLys(1)-Arg-Abu-D-Phg-(1);N-[(3R,6S,9S,12R)-9-[3-(diaminomethylideneamino)propyl]-6-ethyl-12-methyl-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetrazacyclohexadec-12-yl]-2-methylpropanamide;CID 71586081;SCHEMBL15004652;BDBM50164787;MM-401?;DA-55566;HY-19554;N-[6(S)-Ethyl-9(S)-(3-guanidino-propyl)-12(R)-methyl-2,5,8,11-tetraoxo-3(R)-phenyl-1,4,7,10tetraaza-cyclohexadec-12-yl]-isobutyramide;CS-0015650;N-((3R,6S,9S,12R)-6-Ethyl-9-(3-guanidinopropyl)-12-methyl-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclohexadecan-12-yl)isobutyramide;

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M.F/Formula
C29H46N8O5
M.W/Mr.
586.7
Sequence
Three Letter Code:isobutyryl-D-aMeLys(1)-Arg-Abu-D-Phg-(1)
InChI
InChI=1S/C29H46N8O5/c1-5-20-24(39)36-22(19-12-7-6-8-13-19)26(41)32-16-10-9-15-29(4,37-23(38)18(2)3)27(42)35-21(25(40)34-20)14-11-17-33-28(30)31/h6-8,12-13,18,20-22H,5,9-11,14-17H2,1-4H3,(H,32,41)(H,34,40)(H,35,42)(H,36,39)(H,37,38)(H4,30,31,33)/t20-,21-,22+,29+/m0/s1
InChI Key
SILRGLDFBXVGOQ-ZMROOPMESA-N

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