Raocyclamide A

(4R,8R,11S,18S)-4-benzyl-18-[(2S)-butan-2-yl]-11-methyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione

Also Known As: Raocyclamide A|(1~4~R,4S,8S,12R)-12-Benzyl-8-[(2S)-butan-2-yl]-4-methyl-3,7,11-triaza-1(4,2),5(2,4)-di([1,3]oxazola)-9(2,4)-[1,3]thiazolacyclododecaphane-2,6,10-trione|(4R,8R,11S,18S)-4-benzyl-18-[(2S)-butan-2-yl]-11-methyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione|6,13-Dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo(172115,8112,15)tetracosa-5(24),12(23),14,19(22),21-pentaene-2,9,16-trione, 11-methyl-18-((1S)-1-methylpropyl)-4-(phenylmethyl)-, (4R,8R,11S,18S)-|6,13-Dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo(172115,8112,15)tetracosa-5(24),12(23),14,19(22),21-pentaene-2,9,16-trione, 11-methyl-18-(1-methylpropyl)-4-(phenylmethyl)-, (4R-(4R*,8R*,11S*,18S*(S*)))-

Molecular Formula	C27H30N6O5S
Molecular Weight	550.1998 g/mol
LogP	3.0
Topological Polar Surface Area	176.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	4
Exact Mass	550.1998
Monoisotopic Mass	550.1998
Heavy Atoms	39
Complexity	946.0

Chemical Identifiers

CAS Number	174846-65-2
SMILES	CC[C@H](C)[C@H]1C2=NC(=CS2)C(=O)N[C@@H](C3=N[C@H](CO3)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C)CC5=CC=CC=C5
InChIKey	PNCLWRPJCHTJRB-XJSPYZKOSA-N