2-[3-[(2R,5S,8R,11S,14R)-5-[3-[bis(azanyl)methylideneamino]propyl]-14-[(4-hydroxyphenyl)methyl]-11-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentakis(oxidanylidene)-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine

Systemtic Name: 2-[3-[(2R,5S,8R,11S,14R)-5-[3-[bis(azanyl)methylideneamino]propyl]-14-[(4-hydroxyphenyl)methyl]-11-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentakis(oxidanylidene)-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine Openeye Name: 2-[3-[(2R,5S,8R,11S,14R)-5-(3-guanidinopropyl)-14-[(4-hydroxyphenyl)methyl]-11-methyl-8-(2-naphthylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine CAS Name: 2-[3-[(2R,5S,8R,11S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-11-methyl-8-(2-naphthalenylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine IUPAC Name: 2-[3-[(2R,5S,8R,11S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-11-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine Traditional Name: 2-[3-[(2R,5S,8R,11S,14R)-5-(3-guanidinopropyl)-14-(4-hydroxybenzyl)-3,6,9,12,15-pentaketo-11-methyl-8-(2-naphthylmethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine Formula: C37H49N11O6 MolecularWeight: 743.85506

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O

Isomeric SMILES

C[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O

InChI

InChI=1S/C37H49N11O6/c1-21-31(50)47-29(19-22-11-14-26(49)15-12-22)35(54)46-27(8-4-16-42-36(38)39)32(51)45-28(9-5-17-43-37(40)41)33(52)48-30(34(53)44-21)20-23-10-13-24-6-2-3-7-25(24)18-23/h2-3,6-7,10-15,18,21,27-30,49H,4-5,8-9,16-17,19-20H2,1H3,(H,44,53)(H,45,51)(H,46,54)(H,47,50)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t21-,27+,28-,29+,30+/m0/s1