Pseudostellarin D

(6S,12S,18S,21S)-15-[(2S)-butan-2-yl]-6-[(4-hydroxyphenyl)methyl]-12,18-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone

Also Known As: Pseudostellarin D|Cyclo(gly-pro-leu-ile-leu-gly-tyr)|(6S,12S,18S,21S)-15-[(2S)-butan-2-yl]-6-[(4-hydroxyphenyl)methyl]-12,18-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone|cyclo(glycyl-l-prolyl-l-leucylisoleucyl-l-leucylglycyl-l-tyrosyl)|(3S,9S,15S,23aS)-6-[(2S)-Butan-2-yl]-1,4,7,10,13,16-hexahydroxy-15-[(4-hydroxyphenyl)methyl]-3,9-bis(2-methylpropyl)-3,6,9,12,15,18,21,22,23,23a-decahydro-19H-pyrrolo[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosin-19-one|(6S,12S,18S,21S)-15-((2S)-butan-2-yl)-6-((4-hydroxyphenyl)methyl)-12,18-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo(19.3.0)tetracosane-2,5,8,11,14,17,20-heptone|6-(Butan-2-yl)-1,4,7,10,13,16-hexahydroxy-15-[(4-hydroxyphenyl)methyl]-3,9-bis(2-methylpropyl)-3,6,9,12,15,18,21,22,23,23a-decahydro-19H-pyrrolo[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosin-19-one

Molecular Formula	C36H55N7O8
Molecular Weight	713.4112 g/mol
LogP	2.9
Topological Polar Surface Area	215.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	713.4112
Monoisotopic Mass	713.4112
Heavy Atoms	51
Complexity	1250.0

Chemical Identifiers

CAS Number	19552-10-4
SMILES	CC[C@H](C)C1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=C(C=C3)O)CC(C)C
InChIKey	AEYSUFUZZXZLEV-KBPCQMSISA-N