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

Systemtic Name: 2-[3-[(2S,5S,14R)-14-[(4-hydroxyphenyl)methyl]-10-methyl-5-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentakis(oxidanylidene)-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine Openeye Name: 2-[3-[(2S,5S,14R)-14-[(4-hydroxyphenyl)methyl]-10-methyl-5-(2-naphthylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine CAS Name: 2-[3-[(2S,5S,14R)-14-[(4-hydroxyphenyl)methyl]-10-methyl-5-(2-naphthalenylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine IUPAC Name: 2-[3-[(2S,5S,14R)-14-[(4-hydroxyphenyl)methyl]-10-methyl-5-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine Traditional Name: 2-[3-[(2S,5S,14R)-14-(4-hydroxybenzyl)-3,6,9,12,15-pentaketo-10-methyl-5-(2-naphthylmethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine Formula: C33H40N8O6 MolecularWeight: 644.7207

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC1=O)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CC4=CC=C(C=C4)O

Isomeric SMILES

CN1CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC1=O)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CC4=CC=C(C=C4)O

InChI

InChI=1S/C33H40N8O6/c1-41-19-28(43)38-27(16-20-9-12-24(42)13-10-20)32(47)39-25(7-4-14-36-33(34)35)31(46)40-26(30(45)37-18-29(41)44)17-21-8-11-22-5-2-3-6-23(22)15-21/h2-3,5-6,8-13,15,25-27,42H,4,7,14,16-19H2,1H3,(H,37,45)(H,38,43)(H,39,47)(H,40,46)(H4,34,35,36)/t25-,26-,27+/m0/s1