N-Methylsansalvamide

(3S,6S,9S,12S,15S)-6-benzyl-10-methyl-3,9,15-tris(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclopentadecane-2,5,8,11,14-pentone

Also Known As: N-Methylsansalvamide|Neosansalvamide|J1.421.466F|(3S,6S,9S,12S,15S)-6-benzyl-10-methyl-3,9,15-tris(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclopentadecane-2,5,8,11,14-pentone|Cyclo[L-Leu-[(S)-2-hydroxy*-4-methylpentanoyl]-L-Val-N-methyl-L-Leu-L-Phe-]|Cyclo[L-Phe-L-Leu-[(S)-2-hydroxy*-4-methylpentanoyl]-L-Val-N-methyl-L-Leu-]|(3S,6S,9S,12S,15S)-6-benzyl-10-methyl-3,9,15-tris(2-methylpropyl)-12-(propan-2-yl)-1-oxa-4,7,10,13-tetraazacyclopentadecane-2,5,8,11,14-pentone|1-oxa-4,7,10,13-tetraazacyclopentadecane-2,5,8,11,14-pentone, 10-methyl-12-(1-methylethyl)-3,9,15-tris(2-methylpropyl)-6-(phenylmethyl)-, (3S,6S,9S,12S,15S)-|6-Benzyl-3,9,15-triisobutyl-12-isopropyl-10-methyl-1-oxa-4,7,10,13-tetraaza-cyclopentadecane-2,5,8,11,14-pentaone|rel-(3R,6R,9R,12R,15R)-6-benzyl-3,9,15-triisobutyl-12-isopropyl-10-methyl-1-oxa-4,7,10,13-tetraazacyclopentadecane-2,5,8,11,14-pentone

Molecular Formula	C33H52N4O6
Molecular Weight	600.3887 g/mol
LogP	6.0
Topological Polar Surface Area	134.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	600.3887
Monoisotopic Mass	600.3887
Heavy Atoms	43
Complexity	959.0

Chemical Identifiers

CAS Number	324079-40-5
SMILES	CC(C)C[C@H]1C(=O)O[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(C)C)C)C(C)C)CC(C)C
InChIKey	YMJKISFVUDJIHL-XLIKFSOKSA-N